(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one

C9H14ClNO — CID 101023256

IUPAC(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one
SMILESCC/C=C(\Cl)C(=O)N1CCCC1
InChIInChI=1S/C9H14ClNO/c1-2-5-8(10)9(12)11-6-3-4-7-11/h5H,2-4,6-7H2,1H3/b8-5-
InChIKeyKEJKTYAMULLVKG-YVMONPNESA-N
MW187.67 g/mol
LogP2.14
Rot. Bonds2

About (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one

(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one (PubChem CID 101023256) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one
PubChem CID101023256
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one
SMILESCC/C=C(\Cl)C(=O)N1CCCC1
InChIInChI=1S/C9H14ClNO/c1-2-5-8(10)9(12)11-6-3-4-7-11/h5H,2-4,6-7H2,1H3/b8-5-
InChIKeyKEJKTYAMULLVKG-YVMONPNESA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 71897559
1-piperidin-1-ylethanone;propanal
CID 178173122
(E)-2-chloro-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 909634
propane;1-pyrrolidin-1-ylethanone
CID 143432619
(Z)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpent-2-en-1-one
CID 107406314
3-iodo-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 173171873
1-hept-3-en-4-ylpyrrolidine
CID 68591319
2-(azepan-1-yl)-N-ethyl-2-oxoacetamide
CID 108521159
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione
CID 150340291

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one?
The IUPAC name of (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one (CID 101023256) is (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one.
What is the SMILES notation for (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one?
The canonical SMILES for (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one is CC/C=C(\Cl)C(=O)N1CCCC1.
What is the InChIKey of (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one?
The InChIKey is KEJKTYAMULLVKG-YVMONPNESA-N. The full InChI is InChI=1S/C9H14ClNO/c1-2-5-8(10)9(12)11-6-3-4-7-11/h5H,2-4,6-7H2,1H3/b8-5-.
What are the key properties of (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one?
(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one has a molecular weight of 187.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one is sourced from PubChem (CID 101023256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).