N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide

C11H15NO — CID 70619410

IUPACN-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1(C)C=CC=CC1C
InChIInChI=1S/C11H15NO/c1-4-10(13)12-11(3)8-6-5-7-9(11)2/h4-9H,1H2,2-3H3,(H,12,13)
InChIKeyIDOKTMUHWBAJQQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.81
Rot. Bonds2

About N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide

N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide (PubChem CID 70619410) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide
PubChem CID70619410
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1(C)C=CC=CC1C
InChIInChI=1S/C11H15NO/c1-4-10(13)12-11(3)8-6-5-7-9(11)2/h4-9H,1H2,2-3H3,(H,12,13)
InChIKeyIDOKTMUHWBAJQQ-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
The IUPAC name of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide (CID 70619410) is N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide.
What is the SMILES notation for N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
The canonical SMILES for N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide is C=CC(=O)NC1(C)C=CC=CC1C.
What is the InChIKey of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
The InChIKey is IDOKTMUHWBAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-10(13)12-11(3)8-6-5-7-9(11)2/h4-9H,1H2,2-3H3,(H,12,13).
What are the key properties of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide has a molecular weight of 177.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide is sourced from PubChem (CID 70619410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).