N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide

C10H15NO — CID 142882586

IUPACN-(6-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCCC(=O)NC1=CCCC=C1C
InChIInChI=1S/C10H15NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyRLQZBUJDJQVZCS-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.14
Rot. Bonds2

About N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide

N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide (PubChem CID 142882586) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-methylcyclohexa-1,5-dien-1-yl)propanamide
PubChem CID142882586
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(6-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCCC(=O)NC1=CCCC=C1C
InChIInChI=1S/C10H15NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyRLQZBUJDJQVZCS-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide?
The IUPAC name of N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide (CID 142882586) is N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide.
What is the SMILES notation for N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide?
The canonical SMILES for N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide is CCC(=O)NC1=CCCC=C1C.
What is the InChIKey of N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide?
The InChIKey is RLQZBUJDJQVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide?
N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide has a molecular weight of 165.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylcyclohexa-1,5-dien-1-yl)propanamide is sourced from PubChem (CID 142882586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).