N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide

C9H12N2O2 — CID 1481809

IUPACN-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NC)c1
InChIInChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13)
InChIKeyCWMKCPQGJKUMBN-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.97
Rot. Bonds3

About N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide

N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide (PubChem CID 1481809) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
PubChem CID1481809
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NC)c1
InChIInChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13)
InChIKeyCWMKCPQGJKUMBN-UHFFFAOYSA-N
XLogP0.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide (CID 1481809) is N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide is CCC(=O)c1c[nH]c(C(=O)NC)c1.
What is the InChIKey of N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide?
The InChIKey is CWMKCPQGJKUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13).
What are the key properties of N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide?
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1481809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).