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

C13H24N2O2 — CID 114148602

IUPAC3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESCCNC1CCN(CC2CCCC(O)C2)C1=O
InChIInChI=1S/C13H24N2O2/c1-2-14-12-6-7-15(13(12)17)9-10-4-3-5-11(16)8-10/h10-12,14,16H,2-9H2,1H3
InChIKeyUOBQOPUMBBSHFC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds4

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

3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 114148602) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
PubChem CID114148602
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESCCNC1CCN(CC2CCCC(O)C2)C1=O
InChIInChI=1S/C13H24N2O2/c1-2-14-12-6-7-15(13(12)17)9-10-4-3-5-11(16)8-10/h10-12,14,16H,2-9H2,1H3
InChIKeyUOBQOPUMBBSHFC-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide
CID 102553487
2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106132061
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
(S)-3-amino-1-((1S,2R,4R)-2-(1-hydroxypropyl)-4-(isopropyl(methyl)amino)cyclohexyl)pyrrolidin-2-one
CID 68769972
3-amino-1-[(1S,2R,4R)-2-[(1S)-1-hydroxypropyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one
CID 68769974
(3S)-3-amino-1-[(1S,2S,4R)-2-(1-hydroxypropyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one
CID 68769975

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (CID 114148602) is 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is CCNC1CCN(CC2CCCC(O)C2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is UOBQOPUMBBSHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-14-12-6-7-15(13(12)17)9-10-4-3-5-11(16)8-10/h10-12,14,16H,2-9H2,1H3.
What are the key properties of 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 114148602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).