4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium

C21H22NO3+ — CID 71482162

IUPAC4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c2=[N+]2CCOCC2)cc1
InChIInChI=1S/C21H22NO3/c1-23-17-7-3-15(4-8-17)19-20(16-5-9-18(24-2)10-6-16)21(19)22-11-13-25-14-12-22/h3-10H,11-14H2,1-2H3/q+1
InChIKeyNZGGWAURJWQNHP-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.72
Rot. Bonds4

About 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium

4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium (PubChem CID 71482162) has the molecular formula C21H22NO3+ and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium.

Molecular Properties

Compound Name4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium
PubChem CID71482162
Molecular FormulaC21H22NO3+
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c2=[N+]2CCOCC2)cc1
InChIInChI=1S/C21H22NO3/c1-23-17-7-3-15(4-8-17)19-20(16-5-9-18(24-2)10-6-16)21(19)22-11-13-25-14-12-22/h3-10H,11-14H2,1-2H3/q+1
InChIKeyNZGGWAURJWQNHP-UHFFFAOYSA-N
XLogP2.72
TPSA30.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate
CID 20998297
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907421
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
ethane;4-(4-methoxyphenyl)morpholin-4-ium
CID 143568777
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
anisole;oxolane
CID 21469894
5-(4-methoxyphenyl)-2,3-dihydrofuran
CID 101192836
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-(4-methoxyphenyl)-1H-azirine
CID 19098652
3-chloro-4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110583194

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium?
The IUPAC name of 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium (CID 71482162) is 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium.
What is the SMILES notation for 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium?
The canonical SMILES for 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium is COc1ccc(-c2c(-c3ccc(OC)cc3)c2=[N+]2CCOCC2)cc1.
What is the InChIKey of 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium?
The InChIKey is NZGGWAURJWQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NO3/c1-23-17-7-3-15(4-8-17)19-20(16-5-9-18(24-2)10-6-16)21(19)22-11-13-25-14-12-22/h3-10H,11-14H2,1-2H3/q+1.
What are the key properties of 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium?
4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium has a molecular weight of 336.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(4-methoxyphenyl)cycloprop-2-en-1-ylidene]morpholin-4-ium is sourced from PubChem (CID 71482162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).