3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one

C10H19N3O — CID 164647017

IUPAC3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one
SMILESNC1CCCC(NC2CCNC2=O)C1
InChIInChI=1S/C10H19N3O/c11-7-2-1-3-8(6-7)13-9-4-5-12-10(9)14/h7-9,13H,1-6,11H2,(H,12,14)
InChIKeyMBBUVLUSTYOTBJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.27
Rot. Bonds2

About 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one

3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one (PubChem CID 164647017) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one
PubChem CID164647017
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one
SMILESNC1CCCC(NC2CCNC2=O)C1
InChIInChI=1S/C10H19N3O/c11-7-2-1-3-8(6-7)13-9-4-5-12-10(9)14/h7-9,13H,1-6,11H2,(H,12,14)
InChIKeyMBBUVLUSTYOTBJ-UHFFFAOYSA-N
XLogP-0.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837
3-[(1-methylpiperidin-3-yl)amino]pyrrolidin-2-one
CID 164647012
(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
3-[(3-methoxycyclohexyl)amino]azepan-2-one
CID 113285842
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
CID 64734523
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-[(2-methoxycyclopentyl)amino]pyrrolidin-2-one
CID 164655509
2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 55116713
3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
CID 80562122
3-(oxepan-4-ylamino)azepan-2-one
CID 65081835
3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
CID 62093934
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one?
The IUPAC name of 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one (CID 164647017) is 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one?
The canonical SMILES for 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one is NC1CCCC(NC2CCNC2=O)C1.
What is the InChIKey of 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one?
The InChIKey is MBBUVLUSTYOTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-7-2-1-3-8(6-7)13-9-4-5-12-10(9)14/h7-9,13H,1-6,11H2,(H,12,14).
What are the key properties of 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one?
3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 164647017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).