4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine

C27H31N2O2+ — CID 18737625

IUPAC4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine
SMILESC1=CC(=[N+]2CCOCC2)C=CC1=CC1=C/C(=C\c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C27H31N2O2/c1-2-25(20-23-5-9-27(10-6-23)29-13-17-31-18-14-29)21-24(1)19-22-3-7-26(8-4-22)28-11-15-30-16-12-28/h3-10,19-21H,1-2,11-18H2/q+1
InChIKeyTUOHFBAPBTZWEZ-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.16
Rot. Bonds3

About 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine

4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine (PubChem CID 18737625) has the molecular formula C27H31N2O2+ and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine
PubChem CID18737625
Molecular FormulaC27H31N2O2+
Molecular Weight415.56 g/mol
Exact Mass415.24
IUPAC Name4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine
SMILESC1=CC(=[N+]2CCOCC2)C=CC1=CC1=C/C(=C\c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C27H31N2O2/c1-2-25(20-23-5-9-27(10-6-23)29-13-17-31-18-14-29)21-24(1)19-22-3-7-26(8-4-22)28-11-15-30-16-12-28/h3-10,19-21H,1-2,11-18H2/q+1
InChIKeyTUOHFBAPBTZWEZ-UHFFFAOYSA-N
XLogP4.16
TPSA24.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4-(10,10-dimethyl-2-morpholin-4-ium-4-ylidenebenzo[b][1,4]benzazasilin-8-yl)morpholine
CID 157112878
2,6-bis[(4-morpholin-4-ylphenyl)methylidene]cyclohexan-1-one
CID 4536428
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(10-methyl-2-morpholin-4-ium-4-ylidene-10-prop-2-enylbenzo[b][1,4]benzazasilin-8-yl)morpholine
CID 160792592
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
7-hydroxy-2-[(4-morpholin-4-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 175569033

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine?
The IUPAC name of 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine (CID 18737625) is 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine is C1=CC(=[N+]2CCOCC2)C=CC1=CC1=C/C(=C\c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine?
The InChIKey is TUOHFBAPBTZWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N2O2/c1-2-25(20-23-5-9-27(10-6-23)29-13-17-31-18-14-29)21-24(1)19-22-3-7-26(8-4-22)28-11-15-30-16-12-28/h3-10,19-21H,1-2,11-18H2/q+1.
What are the key properties of 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine?
4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine has a molecular weight of 415.56 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-[3-[(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)methyl]cyclopent-2-en-1-ylidene]methyl]phenyl]morpholine is sourced from PubChem (CID 18737625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).