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

C7H8N2O — CID 59502707

IUPACN-(1H-pyrrol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc[nH]c1
InChIInChI=1S/C7H8N2O/c1-2-7(10)9-6-3-4-8-5-6/h2-5,8H,1H2,(H,9,10)
InChIKeyFWBXDUZVZIEKJM-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.14
Rot. Bonds2

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

N-(1H-pyrrol-3-yl)prop-2-enamide (PubChem CID 59502707) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is N-(1H-pyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-yl)prop-2-enamide
PubChem CID59502707
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC NameN-(1H-pyrrol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc[nH]c1
InChIInChI=1S/C7H8N2O/c1-2-7(10)9-6-3-4-8-5-6/h2-5,8H,1H2,(H,9,10)
InChIKeyFWBXDUZVZIEKJM-UHFFFAOYSA-N
XLogP1.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.14
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 N-(1H-pyrrol-3-yl)prop-2-enamide?
The IUPAC name of N-(1H-pyrrol-3-yl)prop-2-enamide (CID 59502707) is N-(1H-pyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1H-pyrrol-3-yl)prop-2-enamide?
The canonical SMILES for N-(1H-pyrrol-3-yl)prop-2-enamide is C=CC(=O)Nc1cc[nH]c1.
What is the InChIKey of N-(1H-pyrrol-3-yl)prop-2-enamide?
The InChIKey is FWBXDUZVZIEKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-7(10)9-6-3-4-8-5-6/h2-5,8H,1H2,(H,9,10).
What are the key properties of N-(1H-pyrrol-3-yl)prop-2-enamide?
N-(1H-pyrrol-3-yl)prop-2-enamide has a molecular weight of 136.15 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 59502707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).