1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one

C14H24N2O — CID 103072989

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one
SMILESC=C(CNC1CC1)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C14H24N2O/c1-10(2)12-6-14(17)16(9-12)8-11(3)7-15-13-4-5-13/h10,12-13,15H,3-9H2,1-2H3
InChIKeyNWZQGLIXNXMZCD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.80
Rot. Bonds6

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 103072989) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID103072989
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one
SMILESC=C(CNC1CC1)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C14H24N2O/c1-10(2)12-6-14(17)16(9-12)8-11(3)7-15-13-4-5-13/h10,12-13,15H,3-9H2,1-2H3
InChIKeyNWZQGLIXNXMZCD-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-methylazepan-2-one
CID 103072534
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512195
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-4-methylpyrrolidin-2-one
CID 103072380
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
N-methyl-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 62701981
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one (CID 103072989) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one is C=C(CNC1CC1)CN1CC(C(C)C)CC1=O.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is NWZQGLIXNXMZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)12-6-14(17)16(9-12)8-11(3)7-15-13-4-5-13/h10,12-13,15H,3-9H2,1-2H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 103072989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).