4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride

C16H19ClN2O3 — CID 119513544

IUPAC4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)c(=O)oc2ccccc12.Cl
InChIInChI=1S/C16H18N2O3.ClH/c1-10-12-6-2-3-7-13(12)21-16(20)14(10)15(19)18-9-11-5-4-8-17-11;/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,18,19);1H
InChIKeyKYRCHMOFMMBSAT-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.01
Rot. Bonds3

About 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride

4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride (PubChem CID 119513544) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
PubChem CID119513544
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)c(=O)oc2ccccc12.Cl
InChIInChI=1S/C16H18N2O3.ClH/c1-10-12-6-2-3-7-13(12)21-16(20)14(10)15(19)18-9-11-5-4-8-17-11;/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,18,19);1H
InChIKeyKYRCHMOFMMBSAT-UHFFFAOYSA-N
XLogP2.01
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
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N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
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N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
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N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478
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2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
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4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]chromene-2-carboxamide
CID 104955209
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
3-[(2-fluorophenyl)sulfanylmethyl]-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119514043

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride (CID 119513544) is 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride is Cc1c(C(=O)NCC2CCCN2)c(=O)oc2ccccc12.Cl.
What is the InChIKey of 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride?
The InChIKey is KYRCHMOFMMBSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3.ClH/c1-10-12-6-2-3-7-13(12)21-16(20)14(10)15(19)18-9-11-5-4-8-17-11;/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,18,19);1H.
What are the key properties of 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride?
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride has a molecular weight of 322.79 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119513544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).