N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide

C17H14N2O4 — CID 6710540

IUPACN-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NC3=C(C#N)CCC3)cc2c1
InChIInChI=1S/C17H14N2O4/c1-22-12-5-6-15-11(7-12)8-13(17(21)23-15)16(20)19-14-4-2-3-10(14)9-18/h5-8H,2-4H2,1H3,(H,19,20)
InChIKeyPMIOIHDIHAFROI-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.49
Rot. Bonds3

About N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide

N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 6710540) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID6710540
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NC3=C(C#N)CCC3)cc2c1
InChIInChI=1S/C17H14N2O4/c1-22-12-5-6-15-11(7-12)8-13(17(21)23-15)16(20)19-14-4-2-3-10(14)9-18/h5-8H,2-4H2,1H3,(H,19,20)
InChIKeyPMIOIHDIHAFROI-UHFFFAOYSA-N
XLogP2.49
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
CID 2964707
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
6-methoxy-N-[2-(4-methoxyanilino)-1-methyl-3H-1,3-thiazol-4-yl]-2-oxochromene-3-carboxamide
CID 21176519

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide (CID 6710540) is N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)NC3=C(C#N)CCC3)cc2c1.
What is the InChIKey of N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is PMIOIHDIHAFROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-12-5-6-15-11(7-12)8-13(17(21)23-15)16(20)19-14-4-2-3-10(14)9-18/h5-8H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide?
N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopenten-1-yl)-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 6710540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).