N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide

C16H14N2O3 — CID 53004577

IUPACN-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2CC2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C16H14N2O3/c1-18-12(15(19)17-9-6-7-9)8-11-14(18)10-4-2-3-5-13(10)21-16(11)20/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyRTVRUGVJZUQXPJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.18
Rot. Bonds2

About N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide

N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 53004577) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID53004577
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2CC2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C16H14N2O3/c1-18-12(15(19)17-9-6-7-9)8-11-14(18)10-4-2-3-5-13(10)21-16(11)20/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyRTVRUGVJZUQXPJ-UHFFFAOYSA-N
XLogP2.18
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide
CID 53004565
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054817
1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide
CID 53004567
N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 20855545
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119477940
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119477939
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
4-oxo-N-piperidin-4-ylchromene-2-carboxamide
CID 43345718
N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441846
1-methyl-N-piperidin-4-ylindole-2-carboxamide
CID 110468893
7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
CID 171662965

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (CID 53004577) is N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is Cn1c(C(=O)NC2CC2)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is RTVRUGVJZUQXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-12(15(19)17-9-6-7-9)8-11-14(18)10-4-2-3-5-13(10)21-16(11)20/h2-5,8-9H,6-7H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 53004577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).