1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one

C14H24N2O — CID 97159365

IUPAC1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)C[C@H]1CC=CCC1
InChIInChI=1S/C14H24N2O/c1-15(12-13-6-3-2-4-7-13)10-11-16-9-5-8-14(16)17/h2-3,13H,4-12H2,1H3/t13-/m0/s1
InChIKeySPSPQDBTOGRXHK-ZDUSSCGKSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds5

About 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one

1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one (PubChem CID 97159365) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one
PubChem CID97159365
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)C[C@H]1CC=CCC1
InChIInChI=1S/C14H24N2O/c1-15(12-13-6-3-2-4-7-13)10-11-16-9-5-8-14(16)17/h2-3,13H,4-12H2,1H3/t13-/m0/s1
InChIKeySPSPQDBTOGRXHK-ZDUSSCGKSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one
CID 84594246
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CID 97286604
1-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]pyrrolidin-2-one
CID 144760396
1-[2-[5-hydroxypentyl(methyl)amino]ethyl]pyrrolidin-2-one
CID 111122278
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 115883971
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 42501749
1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111121937
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43205667
N-amino-N-[2-(2-oxopyrrolidin-1-yl)ethyl]formamide
CID 88601198
1-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111122276

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one (CID 97159365) is 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one is CN(CCN1CCCC1=O)C[C@H]1CC=CCC1.
What is the InChIKey of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is SPSPQDBTOGRXHK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N2O/c1-15(12-13-6-3-2-4-7-13)10-11-16-9-5-8-14(16)17/h2-3,13H,4-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 97159365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).