(Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide

C10H14N2O — CID 55267150

IUPAC(Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide
SMILESCC(C)n1cccc1/C=C\C(N)=O
InChIInChI=1S/C10H14N2O/c1-8(2)12-7-3-4-9(12)5-6-10(11)13/h3-8H,1-2H3,(H2,11,13)/b6-5-
InChIKeyQUHQSUIVDOAXIG-WAYWQWQTSA-N
MW178.23 g/mol
LogP1.57
Rot. Bonds3

About (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide

(Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide (PubChem CID 55267150) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide
PubChem CID55267150
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide
SMILESCC(C)n1cccc1/C=C\C(N)=O
InChIInChI=1S/C10H14N2O/c1-8(2)12-7-3-4-9(12)5-6-10(11)13/h3-8H,1-2H3,(H2,11,13)/b6-5-
InChIKeyQUHQSUIVDOAXIG-WAYWQWQTSA-N
XLogP1.57
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide (CID 55267150) is (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide is CC(C)n1cccc1/C=C\C(N)=O.
What is the InChIKey of (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide?
The InChIKey is QUHQSUIVDOAXIG-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)12-7-3-4-9(12)5-6-10(11)13/h3-8H,1-2H3,(H2,11,13)/b6-5-.
What are the key properties of (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide?
(Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide has a molecular weight of 178.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide is sourced from PubChem (CID 55267150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).