1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine

C6H13N2+ — CID 59866356

IUPAC1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine
SMILESC=C(N)[C@H]1CCC[NH2+]1
InChIInChI=1S/C6H12N2/c1-5(7)6-3-2-4-8-6/h6,8H,1-4,7H2/p+1/t6-/m1/s1
InChIKeyZDOMSQQPCMCCSA-ZCFIWIBFSA-O
MW113.18 g/mol
LogP-0.82
Rot. Bonds1

About 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine

1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine (PubChem CID 59866356) has the molecular formula C6H13N2+ and a molecular weight of 113.18 g/mol. Its IUPAC name is 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine.

Molecular Properties

Compound Name1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine
PubChem CID59866356
Molecular FormulaC6H13N2+
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine
SMILESC=C(N)[C@H]1CCC[NH2+]1
InChIInChI=1S/C6H12N2/c1-5(7)6-3-2-4-8-6/h6,8H,1-4,7H2/p+1/t6-/m1/s1
InChIKeyZDOMSQQPCMCCSA-ZCFIWIBFSA-O
XLogP-0.82
TPSA42.63 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine?
The IUPAC name of 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine (CID 59866356) is 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine.
What is the SMILES notation for 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine?
The canonical SMILES for 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine is C=C(N)[C@H]1CCC[NH2+]1.
What is the InChIKey of 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine?
The InChIKey is ZDOMSQQPCMCCSA-ZCFIWIBFSA-O. The full InChI is InChI=1S/C6H12N2/c1-5(7)6-3-2-4-8-6/h6,8H,1-4,7H2/p+1/t6-/m1/s1.
What are the key properties of 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine?
1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine has a molecular weight of 113.18 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-pyrrolidin-1-ium-2-yl]ethenamine is sourced from PubChem (CID 59866356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).