3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one

C24H27N3O3 — CID 98558420

IUPAC3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
SMILESN/N=C(\CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H27N3O3/c25-26-18(12-15-27-13-6-7-14-27)16-20(17-8-2-1-3-9-17)22-23(28)19-10-4-5-11-21(19)30-24(22)29/h1-5,8-11,20,28H,6-7,12-16,25H2/b26-18+/t20-/m0/s1
InChIKeyREFXANMNGYSZQM-VIHXGXMLSA-N
MW405.50 g/mol
LogP3.82
Rot. Bonds7

About 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one

3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one (PubChem CID 98558420) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
PubChem CID98558420
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
SMILESN/N=C(\CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H27N3O3/c25-26-18(12-15-27-13-6-7-14-27)16-20(17-8-2-1-3-9-17)22-23(28)19-10-4-5-11-21(19)30-24(22)29/h1-5,8-11,20,28H,6-7,12-16,25H2/b26-18+/t20-/m0/s1
InChIKeyREFXANMNGYSZQM-VIHXGXMLSA-N
XLogP3.82
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(1R,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
CID 98558418
3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride
CID 54720718
4-hydroxy-3-[(1S,3E)-3-hydroxyimino-1-phenyl-5-pyrrolidin-1-ylpentyl]chromen-2-one
CID 92531112
4-hydroxy-3-[(3E)-1-phenyl-3-(phenylhydrazinylidene)-5-pyrrolidin-1-ylpentyl]chromen-2-one;hydrochloride
CID 54712292
4-hydroxy-3-[(1R)-3-oxo-1-phenyl-5-pyrrolidin-1-ylpentyl]chromen-2-one
CID 92857705
4-hydroxy-3-(3-oxo-1-phenyl-5-pyrrolidin-1-ylpentyl)chromen-2-one;hydrochloride
CID 54695470
N-[(E)-[(1R)-1-(4-hydroxy-2-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-ylidene]amino]-2-phenylacetamide
CID 98558570
N-[[1-(4-hydroxy-2-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-ylidene]amino]-2-phenylacetamide
CID 54704027
N-[(Z)-[(1S)-1-(4-hydroxy-2-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-ylidene]amino]-4-methylbenzenesulfonamide
CID 98558444
2-cyano-N-[[1-(4-hydroxy-2-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-ylidene]amino]acetamide
CID 54704023
sodium 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 54710741
[[1-(4-hydroxy-2-oxochromen-3-yl)-1-phenylpentan-3-ylidene]amino]thiourea
CID 54682142

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one (CID 98558420) is 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one is N/N=C(\CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one?
The InChIKey is REFXANMNGYSZQM-VIHXGXMLSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-26-18(12-15-27-13-6-7-14-27)16-20(17-8-2-1-3-9-17)22-23(28)19-10-4-5-11-21(19)30-24(22)29/h1-5,8-11,20,28H,6-7,12-16,25H2/b26-18+/t20-/m0/s1.
What are the key properties of 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one?
3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one has a molecular weight of 405.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 98558420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).