1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine

C8H14ClN — CID 131232303

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
SMILESCC1CCN(C/C=C/Cl)C1
InChIInChI=1S/C8H14ClN/c1-8-3-6-10(7-8)5-2-4-9/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyYGIKFCPQJQSHFM-DUXPYHPUSA-N
MW159.66 g/mol
LogP2.08
Rot. Bonds2

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

1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine (PubChem CID 131232303) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
PubChem CID131232303
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
SMILESCC1CCN(C/C=C/Cl)C1
InChIInChI=1S/C8H14ClN/c1-8-3-6-10(7-8)5-2-4-9/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyYGIKFCPQJQSHFM-DUXPYHPUSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
CID 131231907
[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
CID 76933253
1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
CID 65448653
4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
CID 107900967
1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
CID 114511079
4-[(E)-3-chloroprop-2-enyl]-7-methyl-1,4-thiazepane
CID 131245452
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
CID 115648536
(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
CID 131246025
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
CID 23403793
CID 23403793
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine (CID 131232303) is 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine is CC1CCN(C/C=C/Cl)C1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine?
The InChIKey is YGIKFCPQJQSHFM-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14ClN/c1-8-3-6-10(7-8)5-2-4-9/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine?
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine has a molecular weight of 159.66 g/mol, XLogP of 2.08, 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]-3-methylpyrrolidine is sourced from PubChem (CID 131232303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).