6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide

C11H17NO — CID 66693155

IUPAC6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCC1(C)C=CC=CC1C(N)=O
InChIInChI=1S/C11H17NO/c1-3-7-11(2)8-5-4-6-9(11)10(12)13/h4-6,8-9H,3,7H2,1-2H3,(H2,12,13)
InChIKeyREMYFZQJENBHKV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.02
Rot. Bonds3

About 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide

6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 66693155) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide
PubChem CID66693155
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCC1(C)C=CC=CC1C(N)=O
InChIInChI=1S/C11H17NO/c1-3-7-11(2)8-5-4-6-9(11)10(12)13/h4-6,8-9H,3,7H2,1-2H3,(H2,12,13)
InChIKeyREMYFZQJENBHKV-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide (CID 66693155) is 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide is CCCC1(C)C=CC=CC1C(N)=O.
What is the InChIKey of 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is REMYFZQJENBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-7-11(2)8-5-4-6-9(11)10(12)13/h4-6,8-9H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide?
6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 66693155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).