3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one

C10H18N2O — CID 79619295

IUPAC3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
SMILESNC1CCN(C2CCCC(=O)C2)C1
InChIInChI=1S/C10H18N2O/c11-8-4-5-12(7-8)9-2-1-3-10(13)6-9/h8-9H,1-7,11H2
InChIKeyLOBRGIQTYIMRLG-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.53
Rot. Bonds1

About 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one

3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one (PubChem CID 79619295) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
PubChem CID79619295
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
SMILESNC1CCN(C2CCCC(=O)C2)C1
InChIInChI=1S/C10H18N2O/c11-8-4-5-12(7-8)9-2-1-3-10(13)6-9/h8-9H,1-7,11H2
InChIKeyLOBRGIQTYIMRLG-UHFFFAOYSA-N
XLogP0.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 79934846
4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
CID 115302335
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one
CID 124516728
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-one
CID 79934767
3-(3-cyclopropylpyrrolidin-1-yl)cyclopentan-1-one
CID 131097988
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-amine
CID 62068570
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one (CID 79619295) is 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one is NC1CCN(C2CCCC(=O)C2)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one?
The InChIKey is LOBRGIQTYIMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-8-4-5-12(7-8)9-2-1-3-10(13)6-9/h8-9H,1-7,11H2.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one?
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 79619295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).