1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide

C16H16N2O3 — CID 53004565

IUPAC1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2c(=O)oc3ccccc3c2n1C
InChIInChI=1S/C16H16N2O3/c1-9(2)17-15(19)12-8-11-14(18(12)3)10-6-4-5-7-13(10)21-16(11)20/h4-9H,1-3H3,(H,17,19)
InChIKeyHLPLMDKPVHXBBH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.42
Rot. Bonds2

About 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide

1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 53004565) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID53004565
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2c(=O)oc3ccccc3c2n1C
InChIInChI=1S/C16H16N2O3/c1-9(2)17-15(19)12-8-11-14(18(12)3)10-6-4-5-7-13(10)21-16(11)20/h4-9H,1-3H3,(H,17,19)
InChIKeyHLPLMDKPVHXBBH-UHFFFAOYSA-N
XLogP2.42
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.42
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

N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53004577
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-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054817
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893918
N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide
CID 11437974
N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054830
N-butan-2-yl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 5202934
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
CID 171700993

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide (CID 53004565) is 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide is CC(C)NC(=O)c1cc2c(=O)oc3ccccc3c2n1C.
What is the InChIKey of 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is HLPLMDKPVHXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9(2)17-15(19)12-8-11-14(18(12)3)10-6-4-5-7-13(10)21-16(11)20/h4-9H,1-3H3,(H,17,19).
What are the key properties of 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide?
1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 53004565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).