(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine

C8H16N2 — CID 117265759

IUPAC(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
SMILESCN1CCCC1/C=C\CN
InChIInChI=1S/C8H16N2/c1-10-7-3-5-8(10)4-2-6-9/h2,4,8H,3,5-7,9H2,1H3/b4-2-
InChIKeyVYXQYRHXVUNKRW-RQOWECAXSA-N
MW140.23 g/mol
LogP0.60
Rot. Bonds2

About (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine

(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine (PubChem CID 117265759) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
PubChem CID117265759
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
SMILESCN1CCCC1/C=C\CN
InChIInChI=1S/C8H16N2/c1-10-7-3-5-8(10)4-2-6-9/h2,4,8H,3,5-7,9H2,1H3/b4-2-
InChIKeyVYXQYRHXVUNKRW-RQOWECAXSA-N
XLogP0.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine (CID 117265759) is (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine is CN1CCCC1/C=C\CN.
What is the InChIKey of (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine?
The InChIKey is VYXQYRHXVUNKRW-RQOWECAXSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-7-3-5-8(10)4-2-6-9/h2,4,8H,3,5-7,9H2,1H3/b4-2-.
What are the key properties of (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine?
(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 117265759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).