N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide

C12H17NO — CID 90291491

IUPACN-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(C(=O)NC2CCC2)CCC=C1
InChIInChI=1S/C12H17NO/c1-9-5-2-3-8-11(9)12(14)13-10-6-4-7-10/h2,5,10H,3-4,6-8H2,1H3,(H,13,14)
InChIKeyYOVJSGOEILFEIT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds2

About N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide

N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 90291491) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID90291491
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(C(=O)NC2CCC2)CCC=C1
InChIInChI=1S/C12H17NO/c1-9-5-2-3-8-11(9)12(14)13-10-6-4-7-10/h2,5,10H,3-4,6-8H2,1H3,(H,13,14)
InChIKeyYOVJSGOEILFEIT-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide (CID 90291491) is N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide is CC1=C(C(=O)NC2CCC2)CCC=C1.
What is the InChIKey of N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is YOVJSGOEILFEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-2-3-8-11(9)12(14)13-10-6-4-7-10/h2,5,10H,3-4,6-8H2,1H3,(H,13,14).
What are the key properties of N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide?
N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 191.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 90291491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).