N-cycloheptyl-3-methylbut-2-enamide

C12H21NO — CID 51109528

IUPACN-cycloheptyl-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCCCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-12(14)13-11-7-5-3-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyKAVCKTKFDKPYFE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.79
Rot. Bonds2

About N-cycloheptyl-3-methylbut-2-enamide

N-cycloheptyl-3-methylbut-2-enamide (PubChem CID 51109528) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-cycloheptyl-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-cycloheptyl-3-methylbut-2-enamide
PubChem CID51109528
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-cycloheptyl-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCCCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-12(14)13-11-7-5-3-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyKAVCKTKFDKPYFE-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylcarbamothioyl)-3-methylbut-2-enamide
CID 45051482
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
CID 79110593
N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 130157948
(Z)-N-cyclopentyl-3-methoxybut-2-enamide
CID 70612177
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-(3-fluorocyclopentyl)-3-methylbut-2-enamide
CID 126992672
3-methyl-N-(3-methylcyclobutyl)but-2-enamide
CID 126972537
N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide
CID 131196449
3-methyl-N-(3-methylcyclopentyl)but-2-enamide
CID 130171283
N-cyclodecylprop-2-enamide
CID 18400354

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methylbut-2-enamide?
The IUPAC name of N-cycloheptyl-3-methylbut-2-enamide (CID 51109528) is N-cycloheptyl-3-methylbut-2-enamide.
What is the SMILES notation for N-cycloheptyl-3-methylbut-2-enamide?
The canonical SMILES for N-cycloheptyl-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-methylbut-2-enamide?
The InChIKey is KAVCKTKFDKPYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)9-12(14)13-11-7-5-3-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-cycloheptyl-3-methylbut-2-enamide?
N-cycloheptyl-3-methylbut-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methylbut-2-enamide is sourced from PubChem (CID 51109528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).