1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine

C7H14N2 — CID 143182322

IUPAC1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine
SMILESC=C(N)[C@@H]1CCCN1C
InChIInChI=1S/C7H14N2/c1-6(8)7-4-3-5-9(7)2/h7H,1,3-5,8H2,2H3/t7-/m0/s1
InChIKeyUJTWIPANJHADPV-ZETCQYMHSA-N
MW126.20 g/mol
LogP0.55
Rot. Bonds1

About 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine

1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine (PubChem CID 143182322) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine.

Molecular Properties

Compound Name1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine
PubChem CID143182322
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine
SMILESC=C(N)[C@@H]1CCCN1C
InChIInChI=1S/C7H14N2/c1-6(8)7-4-3-5-9(7)2/h7H,1,3-5,8H2,2H3/t7-/m0/s1
InChIKeyUJTWIPANJHADPV-ZETCQYMHSA-N
XLogP0.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine?
The IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine (CID 143182322) is 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine.
What is the SMILES notation for 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine?
The canonical SMILES for 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine is C=C(N)[C@@H]1CCCN1C.
What is the InChIKey of 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine?
The InChIKey is UJTWIPANJHADPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(8)7-4-3-5-9(7)2/h7H,1,3-5,8H2,2H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine?
1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine has a molecular weight of 126.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine is sourced from PubChem (CID 143182322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).