(3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one

C9H15ClN2O — CID 95633046

IUPAC(3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one
SMILESC=C(Cl)CN(C)[C@H]1CCN(C)C1=O
InChIInChI=1S/C9H15ClN2O/c1-7(10)6-12(3)8-4-5-11(2)9(8)13/h8H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyXQMZENIJJMAVSW-QMMMGPOBSA-N
MW202.68 g/mol
LogP0.90
Rot. Bonds3

About (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one

(3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one (PubChem CID 95633046) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one
PubChem CID95633046
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name(3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one
SMILESC=C(Cl)CN(C)[C@H]1CCN(C)C1=O
InChIInChI=1S/C9H15ClN2O/c1-7(10)6-12(3)8-4-5-11(2)9(8)13/h8H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyXQMZENIJJMAVSW-QMMMGPOBSA-N
XLogP0.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one (CID 95633046) is (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one is C=C(Cl)CN(C)[C@H]1CCN(C)C1=O.
What is the InChIKey of (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is XQMZENIJJMAVSW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(10)6-12(3)8-4-5-11(2)9(8)13/h8H,1,4-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one?
(3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 202.68 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-chloroprop-2-enyl(methyl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 95633046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).