[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine

C8H15ClN2 — CID 76933253

IUPAC[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC=CCl)C1
InChIInChI=1S/C8H15ClN2/c9-3-1-4-11-5-2-8(6-10)7-11/h1,3,8H,2,4-7,10H2
InChIKeyMUDVIJHNGSHSRY-UHFFFAOYSA-N
MW174.67 g/mol
LogP1.02
Rot. Bonds3

About [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine

[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine (PubChem CID 76933253) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
PubChem CID76933253
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC=CCl)C1
InChIInChI=1S/C8H15ClN2/c9-3-1-4-11-5-2-8(6-10)7-11/h1,3,8H,2,4-7,10H2
InChIKeyMUDVIJHNGSHSRY-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine (CID 76933253) is [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CC=CCl)C1.
What is the InChIKey of [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine?
The InChIKey is MUDVIJHNGSHSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2/c9-3-1-4-11-5-2-8(6-10)7-11/h1,3,8H,2,4-7,10H2.
What are the key properties of [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine?
[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine has a molecular weight of 174.67 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 76933253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).