(Z)-1-pyrrolidin-1-ylhex-4-en-1-one

C10H17NO — CID 168980591

IUPAC(Z)-1-pyrrolidin-1-ylhex-4-en-1-one
SMILESC/C=C\CCC(=O)N1CCCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-7-10(12)11-8-5-6-9-11/h2-3H,4-9H2,1H3/b3-2-
InChIKeyULZARWWHIXLYNV-IHWYPQMZSA-N
MW167.25 g/mol
LogP1.97
Rot. Bonds3

About (Z)-1-pyrrolidin-1-ylhex-4-en-1-one

(Z)-1-pyrrolidin-1-ylhex-4-en-1-one (PubChem CID 168980591) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-1-pyrrolidin-1-ylhex-4-en-1-one.

Molecular Properties

Compound Name(Z)-1-pyrrolidin-1-ylhex-4-en-1-one
PubChem CID168980591
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-1-pyrrolidin-1-ylhex-4-en-1-one
SMILESC/C=C\CCC(=O)N1CCCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-7-10(12)11-8-5-6-9-11/h2-3H,4-9H2,1H3/b3-2-
InChIKeyULZARWWHIXLYNV-IHWYPQMZSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
The IUPAC name of (Z)-1-pyrrolidin-1-ylhex-4-en-1-one (CID 168980591) is (Z)-1-pyrrolidin-1-ylhex-4-en-1-one.
What is the SMILES notation for (Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
The canonical SMILES for (Z)-1-pyrrolidin-1-ylhex-4-en-1-one is C/C=C\CCC(=O)N1CCCC1.
What is the InChIKey of (Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
The InChIKey is ULZARWWHIXLYNV-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-7-10(12)11-8-5-6-9-11/h2-3H,4-9H2,1H3/b3-2-.
What are the key properties of (Z)-1-pyrrolidin-1-ylhex-4-en-1-one?
(Z)-1-pyrrolidin-1-ylhex-4-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-pyrrolidin-1-ylhex-4-en-1-one is sourced from PubChem (CID 168980591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).