1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine

C9H16ClN — CID 131241942

IUPAC1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine
SMILESCC1CCN(C/C=C/Cl)C1C
InChIInChI=1S/C9H16ClN/c1-8-4-7-11(9(8)2)6-3-5-10/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyUGULHFAYEOCRHC-HWKANZROSA-N
MW173.69 g/mol
LogP2.47
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine

1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine (PubChem CID 131241942) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine
PubChem CID131241942
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine
SMILESCC1CCN(C/C=C/Cl)C1C
InChIInChI=1S/C9H16ClN/c1-8-4-7-11(9(8)2)6-3-5-10/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyUGULHFAYEOCRHC-HWKANZROSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine 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

(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
CID 131246025
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785626
1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine
CID 131232946
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
CID 77015374
[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
CID 103441569
4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110314
2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane
CID 131237501
1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine
CID 131236986
4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine
CID 131234743
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde
CID 54304870

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine (CID 131241942) is 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine is CC1CCN(C/C=C/Cl)C1C.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine?
The InChIKey is UGULHFAYEOCRHC-HWKANZROSA-N. The full InChI is InChI=1S/C9H16ClN/c1-8-4-7-11(9(8)2)6-3-5-10/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine?
1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine has a molecular weight of 173.69 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine is sourced from PubChem (CID 131241942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).