5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide

C11H17NO — CID 143494937

IUPAC5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=CC=CC(C)C1
InChIInChI=1S/C11H17NO/c1-3-7-12-11(13)10-6-4-5-9(2)8-10/h4-6,9H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyXMMKYMOQCHLUME-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.04
Rot. Bonds3

About 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide

5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 143494937) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
PubChem CID143494937
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=CC=CC(C)C1
InChIInChI=1S/C11H17NO/c1-3-7-12-11(13)10-6-4-5-9(2)8-10/h4-6,9H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyXMMKYMOQCHLUME-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
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[(1R,5R,6S)-5,6-diacetyloxy-3-(propylcarbamoyl)cyclohex-3-en-1-yl] acetate
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5-methylcyclohexa-1,3-diene-1-carbaldehyde
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3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-bromo-4-chloro-N-propylcyclohexa-1,3-diene-1-carboxamide
CID 163726394
5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
CID 109222760
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
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methyl 4-(5-methylcyclohexa-1,3-dien-1-yl)oxybutanoate
CID 71219273
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CID 142335255

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide (CID 143494937) is 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide is CCCNC(=O)C1=CC=CC(C)C1.
What is the InChIKey of 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is XMMKYMOQCHLUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-7-12-11(13)10-6-4-5-9(2)8-10/h4-6,9H,3,7-8H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 143494937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).