N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide

C11H19NO — CID 130669858

IUPACN-cyclopent-3-en-1-yl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC=CC1
InChIInChI=1S/C11H19NO/c1-11(2,3)8-10(13)12-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeyIFCLDTUCFZVVIC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds2

About N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide

N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide (PubChem CID 130669858) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-3,3-dimethylbutanamide
PubChem CID130669858
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclopent-3-en-1-yl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC=CC1
InChIInChI=1S/C11H19NO/c1-11(2,3)8-10(13)12-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeyIFCLDTUCFZVVIC-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
CID 159337962
3,3-dimethyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 53255531
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
N-(3-formylcyclobutyl)-3,3-dimethylbutanamide
CID 176762376
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
methyl 5-[[(1S)-cyclohex-3-en-1-yl]amino]-3,3-dimethyl-5-oxopentanoate
CID 99820371
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
N-(1-hydroxypyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 135300785
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010240

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide?
The IUPAC name of N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide (CID 130669858) is N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide?
The InChIKey is IFCLDTUCFZVVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,3)8-10(13)12-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3,(H,12,13).
What are the key properties of N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide?
N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide is sourced from PubChem (CID 130669858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).