(E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one

C10H17NO — CID 135176643

IUPAC(E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C/C1CCCN1
InChIInChI=1S/C10H17NO/c1-8(2)10(12)6-5-9-4-3-7-11-9/h5-6,8-9,11H,3-4,7H2,1-2H3/b6-5+
InChIKeyHVDJTWMARKLTNC-AATRIKPKSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds3

About (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one

(E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one (PubChem CID 135176643) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one
PubChem CID135176643
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C/C1CCCN1
InChIInChI=1S/C10H17NO/c1-8(2)10(12)6-5-9-4-3-7-11-9/h5-6,8-9,11H,3-4,7H2,1-2H3/b6-5+
InChIKeyHVDJTWMARKLTNC-AATRIKPKSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
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 (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one?
The IUPAC name of (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one (CID 135176643) is (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one.
What is the SMILES notation for (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one?
The canonical SMILES for (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one is CC(C)C(=O)/C=C/C1CCCN1.
What is the InChIKey of (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one?
The InChIKey is HVDJTWMARKLTNC-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)10(12)6-5-9-4-3-7-11-9/h5-6,8-9,11H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one?
(E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one is sourced from PubChem (CID 135176643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).