N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

C11H17NO — CID 177167286

IUPACN-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCNC(=O)C1=C(C(C)C)CCC=C1
InChIInChI=1S/C11H17NO/c1-8(2)9-6-4-5-7-10(9)11(13)12-3/h5,7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyOQSZATGUDJDAOX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.04
Rot. Bonds2

About N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 177167286) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID177167286
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCNC(=O)C1=C(C(C)C)CCC=C1
InChIInChI=1S/C11H17NO/c1-8(2)9-6-4-5-7-10(9)11(13)12-3/h5,7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyOQSZATGUDJDAOX-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (CID 177167286) is N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is CNC(=O)C1=C(C(C)C)CCC=C1.
What is the InChIKey of N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OQSZATGUDJDAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)9-6-4-5-7-10(9)11(13)12-3/h5,7-8H,4,6H2,1-3H3,(H,12,13).
What are the key properties of N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 177167286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).