N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide

C12H19NO2 — CID 11708293

IUPACN-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide
SMILESCC(C)CNC(=O)CCC1=CC(=O)CC1
InChIInChI=1S/C12H19NO2/c1-9(2)8-13-12(15)6-4-10-3-5-11(14)7-10/h7,9H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyGAUYOQVQPYBTPO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds5

About N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide

N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide (PubChem CID 11708293) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide
PubChem CID11708293
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide
SMILESCC(C)CNC(=O)CCC1=CC(=O)CC1
InChIInChI=1S/C12H19NO2/c1-9(2)8-13-12(15)6-4-10-3-5-11(14)7-10/h7,9H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyGAUYOQVQPYBTPO-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Lanyuamide I
CID 5318939
(Z)-N-(2-methylpropyl)octadec-9-enamide
CID 73897824
(E)-8-oxo-N-propan-2-yloctadec-9-enamide
CID 53318764
(E)-10-oxo-N-propan-2-yloctadec-8-enamide
CID 53320086
(E)-11-oxo-N-propan-2-yloctadec-9-enamide
CID 53324054
(E)-9-oxo-N-propan-2-yloctadec-10-enamide
CID 53325365
N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
CID 56669533
(S)-N-butyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720283
(1E)-N-butylcyclooctene-1-carboxamide
CID 134988362
N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide
CID 78385193
N-butyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 175486191
(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide
CID 44556043

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide (CID 11708293) is N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide is CC(C)CNC(=O)CCC1=CC(=O)CC1.
What is the InChIKey of N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide?
The InChIKey is GAUYOQVQPYBTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)8-13-12(15)6-4-10-3-5-11(14)7-10/h7,9H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide?
N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(3-oxocyclopenten-1-yl)propanamide is sourced from PubChem (CID 11708293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).