1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one

C11H17NO — CID 116584980

IUPAC1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one
SMILESNC1C=CC(C(=O)CCC2CC2)C1
InChIInChI=1S/C11H17NO/c12-10-5-4-9(7-10)11(13)6-3-8-1-2-8/h4-5,8-10H,1-3,6-7,12H2
InChIKeyDGPFSDQCTJJEDQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.65
Rot. Bonds4

About 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one

1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one (PubChem CID 116584980) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one
PubChem CID116584980
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one
SMILESNC1C=CC(C(=O)CCC2CC2)C1
InChIInChI=1S/C11H17NO/c12-10-5-4-9(7-10)11(13)6-3-8-1-2-8/h4-5,8-10H,1-3,6-7,12H2
InChIKeyDGPFSDQCTJJEDQ-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide
CID 79400762
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid
CID 79208286
4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
CID 106176733
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one
CID 140633957
4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
CID 79207691
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
CID 114978161
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
CID 116584924
3-cyclopropylpropanamide
CID 53414720
4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79211032
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one (CID 116584980) is 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one is NC1C=CC(C(=O)CCC2CC2)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one?
The InChIKey is DGPFSDQCTJJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-10-5-4-9(7-10)11(13)6-3-8-1-2-8/h4-5,8-10H,1-3,6-7,12H2.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one?
1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 116584980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).