1-pyrrolidin-2-ylethenamine

C6H12N2 — CID 72581963

IUPAC1-pyrrolidin-2-ylethenamine
SMILESC=C(N)C1CCCN1
InChIInChI=1S/C6H12N2/c1-5(7)6-3-2-4-8-6/h6,8H,1-4,7H2
InChIKeyZDOMSQQPCMCCSA-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.21
Rot. Bonds1

About 1-pyrrolidin-2-ylethenamine

1-pyrrolidin-2-ylethenamine (PubChem CID 72581963) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylethenamine.

Molecular Properties

Compound Name1-pyrrolidin-2-ylethenamine
PubChem CID72581963
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-pyrrolidin-2-ylethenamine
SMILESC=C(N)C1CCCN1
InChIInChI=1S/C6H12N2/c1-5(7)6-3-2-4-8-6/h6,8H,1-4,7H2
InChIKeyZDOMSQQPCMCCSA-UHFFFAOYSA-N
XLogP0.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylethenamine?
The IUPAC name of 1-pyrrolidin-2-ylethenamine (CID 72581963) is 1-pyrrolidin-2-ylethenamine.
What is the SMILES notation for 1-pyrrolidin-2-ylethenamine?
The canonical SMILES for 1-pyrrolidin-2-ylethenamine is C=C(N)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylethenamine?
The InChIKey is ZDOMSQQPCMCCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(7)6-3-2-4-8-6/h6,8H,1-4,7H2.
What are the key properties of 1-pyrrolidin-2-ylethenamine?
1-pyrrolidin-2-ylethenamine has a molecular weight of 112.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylethenamine is sourced from PubChem (CID 72581963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).