4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine

C15H24N2O — CID 134340963

IUPAC4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCOCC1
InChIInChI=1S/C15H24N2O/c1-4-13(2)15(17-7-5-6-8-17)14(3)16-9-11-18-12-10-16/h5,7H,3-4,6,8-12H2,1-2H3/b15-13-
InChIKeyOEAMACSDRTUBCD-SQFISAMPSA-N
MW248.37 g/mol
LogP2.74
Rot. Bonds4

About 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine

4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine (PubChem CID 134340963) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine
PubChem CID134340963
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCOCC1
InChIInChI=1S/C15H24N2O/c1-4-13(2)15(17-7-5-6-8-17)14(3)16-9-11-18-12-10-16/h5,7H,3-4,6,8-12H2,1-2H3/b15-13-
InChIKeyOEAMACSDRTUBCD-SQFISAMPSA-N
XLogP2.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]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-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
CID 12509071
4-(1-Cyclopenta-2,4-dien-1-ylideneethyl)morpholine
CID 85658611
4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
(2Z,5E,7Z,9E)-7-fluoro-1-(1-methoxybutan-2-yl)-3-methyl-8-(4-methylpiperazin-1-yl)-4H-azecine
CID 144088507
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
Morpholine, 4-(3-methyl-1-propylidene-2-hexenyl)-
CID 5374728
4-[(1Z,2E)-1-ethylidene-3-methyl-2-pentenyl]morpholine
CID 24977664
N,N-dimethyl-2-(6-morpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine
CID 70188476
(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine
CID 88905167
(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905269
(2E,4Z)-4-[(2,2-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905271

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
The IUPAC name of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine (CID 134340963) is 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine.
What is the SMILES notation for 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
The canonical SMILES for 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine is C=C(/C(=C(\C)CC)N1C=CCC1)N1CCOCC1.
What is the InChIKey of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
The InChIKey is OEAMACSDRTUBCD-SQFISAMPSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13(2)15(17-7-5-6-8-17)14(3)16-9-11-18-12-10-16/h5,7H,3-4,6,8-12H2,1-2H3/b15-13-.
What are the key properties of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine has a molecular weight of 248.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine is sourced from PubChem (CID 134340963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).