3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one

C14H24N2O2 — CID 106137696

IUPAC3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CC1CCCC(O)C1
InChIInChI=1S/C14H24N2O2/c17-12-3-1-2-10(8-12)9-16-7-6-13(14(16)18)15-11-4-5-11/h10-13,15,17H,1-9H2
InChIKeyZALBLIIGKOOVJU-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.89
Rot. Bonds4

About 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one

3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 106137696) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
PubChem CID106137696
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CC1CCCC(O)C1
InChIInChI=1S/C14H24N2O2/c17-12-3-1-2-10(8-12)9-16-7-6-13(14(16)18)15-11-4-5-11/h10-13,15,17H,1-9H2
InChIKeyZALBLIIGKOOVJU-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(((1S,2S,5R)-2-((S)-3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl)methyl)acetamide
CID 68564795
N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide
CID 68564799
[(1S,2S,4R)-2-(acetamidomethyl)-4-methoxycyclohexyl]-[(3S)-2-oxopyrrolidin-3-yl]carbamic acid
CID 68569706
[(1S,2S,4S)-2-(acetamidomethyl)-4-methoxycyclohexyl]-(2-oxopyrrolidin-3-yl)carbamic acid
CID 68569709
[(1S,2S,4R)-2-(acetamidomethyl)-4-methoxycyclohexyl]-(2-oxopyrrolidin-3-yl)carbamic acid
CID 68569712
[(3S)-1-[(1S,2S,4R)-2-(acetamidomethyl)-4-methoxycyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 68692862
[(3S)-1-[(1S,2S,4R)-4-hydroxy-2-propan-2-ylcyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 68765889
4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 123171011
3-Methylcyclohexan-1-ol;pyrrolidine-2-carboxamide
CID 176717194
1-cyclopropyl-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 43391565
1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 43419586
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43427853

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (CID 106137696) is 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is O=C1C(NC2CC2)CCN1CC1CCCC(O)C1.
What is the InChIKey of 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is ZALBLIIGKOOVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-12-3-1-2-10(8-12)9-16-7-6-13(14(16)18)15-11-4-5-11/h10-13,15,17H,1-9H2.
What are the key properties of 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 106137696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).