[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone

C10H18N2O — CID 112630526

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCC(N)C1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C10H18N2O/c1-7(11)9-4-5-12(6-9)10(13)8-2-3-8/h7-9H,2-6,11H2,1H3
InChIKeyPFXXZGOLGSRZBS-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.59
Rot. Bonds2

About [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 112630526) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID112630526
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCC(N)C1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C10H18N2O/c1-7(11)9-4-5-12(6-9)10(13)8-2-3-8/h7-9H,2-6,11H2,1H3
InChIKeyPFXXZGOLGSRZBS-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 115969502
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107181051
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 131070818

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone (CID 112630526) is [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone is CC(N)C1CCN(C(=O)C2CC2)C1.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is PFXXZGOLGSRZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(11)9-4-5-12(6-9)10(13)8-2-3-8/h7-9H,2-6,11H2,1H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 182.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 112630526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).