N-cyclohexyl-2-oxochromene-3-carboxamide

C16H17NO3 — CID 724217

IUPACN-cyclohexyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H17NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h4-6,9-10,12H,1-3,7-8H2,(H,17,18)
InChIKeyKUWSPPXPGQEHSQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.86
Rot. Bonds2

About N-cyclohexyl-2-oxochromene-3-carboxamide

N-cyclohexyl-2-oxochromene-3-carboxamide (PubChem CID 724217) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclohexyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxochromene-3-carboxamide
PubChem CID724217
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-cyclohexyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H17NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h4-6,9-10,12H,1-3,7-8H2,(H,17,18)
InChIKeyKUWSPPXPGQEHSQ-UHFFFAOYSA-N
XLogP2.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxochromene-3-carboxamide (CID 724217) is N-cyclohexyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxochromene-3-carboxamide is O=C(NC1CCCCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-cyclohexyl-2-oxochromene-3-carboxamide?
The InChIKey is KUWSPPXPGQEHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h4-6,9-10,12H,1-3,7-8H2,(H,17,18).
What are the key properties of N-cyclohexyl-2-oxochromene-3-carboxamide?
N-cyclohexyl-2-oxochromene-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 724217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).