3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride

C24H28ClN3O3 — CID 54720718

IUPAC3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride
SMILESCl.N/N=C(/CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H27N3O3.ClH/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;1H/b26-18-;
InChIKeyRRQWZKBPLHKQFP-ZVOSEVRTSA-N
MW441.96 g/mol
LogP4.24
Rot. Bonds7

About 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride

3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride (PubChem CID 54720718) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride
PubChem CID54720718
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride
SMILESCl.N/N=C(/CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H27N3O3.ClH/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;1H/b26-18-;
InChIKeyRRQWZKBPLHKQFP-ZVOSEVRTSA-N
XLogP4.24
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.24
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'}

Analyze 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride 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

3-[(1S,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
CID 98558420
3-[(1R,3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
CID 98558418
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-(3-oxo-1-phenyl-5-pyrrolidin-1-ylpentyl)chromen-2-one;hydrochloride
CID 54695470
4-hydroxy-3-[(1R)-3-oxo-1-phenyl-5-pyrrolidin-1-ylpentyl]chromen-2-one
CID 92857705
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-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride?
The IUPAC name of 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride (CID 54720718) is 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride.
What is the SMILES notation for 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride?
The canonical SMILES for 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride is Cl.N/N=C(/CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride?
The InChIKey is RRQWZKBPLHKQFP-ZVOSEVRTSA-N. The full InChI is InChI=1S/C24H27N3O3.ClH/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;1H/b26-18-;.
What are the key properties of 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride?
3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride has a molecular weight of 441.96 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one;hydrochloride is sourced from PubChem (CID 54720718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).