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

C7H8N2O — CID 11506461

IUPAC(E)-3-(1H-pyrrol-3-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc[nH]c1
InChIInChI=1S/C7H8N2O/c8-7(10)2-1-6-3-4-9-5-6/h1-5,9H,(H2,8,10)/b2-1+
InChIKeyIXHMPUDATSJPHY-OWOJBTEDSA-N
MW136.15 g/mol
LogP0.51
Rot. Bonds2

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

(E)-3-(1H-pyrrol-3-yl)prop-2-enamide (PubChem CID 11506461) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (E)-3-(1H-pyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-pyrrol-3-yl)prop-2-enamide
PubChem CID11506461
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(E)-3-(1H-pyrrol-3-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc[nH]c1
InChIInChI=1S/C7H8N2O/c8-7(10)2-1-6-3-4-9-5-6/h1-5,9H,(H2,8,10)/b2-1+
InChIKeyIXHMPUDATSJPHY-OWOJBTEDSA-N
XLogP0.51
TPSA58.88 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 ≤ 50.51
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 (E)-3-(1H-pyrrol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1H-pyrrol-3-yl)prop-2-enamide (CID 11506461) is (E)-3-(1H-pyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1H-pyrrol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1H-pyrrol-3-yl)prop-2-enamide is NC(=O)/C=C/c1cc[nH]c1.
What is the InChIKey of (E)-3-(1H-pyrrol-3-yl)prop-2-enamide?
The InChIKey is IXHMPUDATSJPHY-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H8N2O/c8-7(10)2-1-6-3-4-9-5-6/h1-5,9H,(H2,8,10)/b2-1+.
What are the key properties of (E)-3-(1H-pyrrol-3-yl)prop-2-enamide?
(E)-3-(1H-pyrrol-3-yl)prop-2-enamide has a molecular weight of 136.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-pyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 11506461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).