2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide

C8H10N2O — CID 59502757

IUPAC2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc[nH]c1
InChIInChI=1S/C8H10N2O/c1-6(2)8(11)10-7-3-4-9-5-7/h3-5,9H,1H2,2H3,(H,10,11)
InChIKeyNUJAKRUVKYAWLR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.53
Rot. Bonds2

About 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide

2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide (PubChem CID 59502757) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide
PubChem CID59502757
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc[nH]c1
InChIInChI=1S/C8H10N2O/c1-6(2)8(11)10-7-3-4-9-5-7/h3-5,9H,1H2,2H3,(H,10,11)
InChIKeyNUJAKRUVKYAWLR-UHFFFAOYSA-N
XLogP1.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide (CID 59502757) is 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide is C=C(C)C(=O)Nc1cc[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide?
The InChIKey is NUJAKRUVKYAWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(2)8(11)10-7-3-4-9-5-7/h3-5,9H,1H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide?
2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide has a molecular weight of 150.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 59502757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).