(3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one

C8H14N2O — CID 95365704

IUPAC(3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one
SMILESC=CCN[C@H]1CCN(C)C1=O
InChIInChI=1S/C8H14N2O/c1-3-5-9-7-4-6-10(2)8(7)11/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyXQOLQRIRFPZWQM-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.01
Rot. Bonds3

About (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one

(3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one (PubChem CID 95365704) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one
PubChem CID95365704
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one
SMILESC=CCN[C@H]1CCN(C)C1=O
InChIInChI=1S/C8H14N2O/c1-3-5-9-7-4-6-10(2)8(7)11/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyXQOLQRIRFPZWQM-ZETCQYMHSA-N
XLogP-0.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.01
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 (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one (CID 95365704) is (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one is C=CCN[C@H]1CCN(C)C1=O.
What is the InChIKey of (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one?
The InChIKey is XQOLQRIRFPZWQM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-9-7-4-6-10(2)8(7)11/h3,7,9H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one?
(3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-(prop-2-enylamino)pyrrolidin-2-one is sourced from PubChem (CID 95365704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).