1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one

C11H19NO2 — CID 116584882

IUPAC1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H19NO2/c1-8(5-6-14-2)11(13)9-3-4-10(12)7-9/h3-4,8-10H,5-7,12H2,1-2H3
InChIKeyDUAUIHZLYXGFSQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.13
Rot. Bonds5

About 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one

1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one (PubChem CID 116584882) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one
PubChem CID116584882
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H19NO2/c1-8(5-6-14-2)11(13)9-3-4-10(12)7-9/h3-4,8-10H,5-7,12H2,1-2H3
InChIKeyDUAUIHZLYXGFSQ-UHFFFAOYSA-N
XLogP1.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81078810
1-(3-aminocyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116568865
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
4-amino-N-pentan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211383
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211082
4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide
CID 114137040
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210810
4-methoxy-2-methyl-1-(thiolan-3-yl)butan-1-one
CID 105131555
3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106109009

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one (CID 116584882) is 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one is COCCC(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one?
The InChIKey is DUAUIHZLYXGFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(5-6-14-2)11(13)9-3-4-10(12)7-9/h3-4,8-10H,5-7,12H2,1-2H3.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one?
1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-en-1-yl)-4-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 116584882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).