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

C12H17NO — CID 67859817

IUPACN-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1(C)C=CC=CC1CC
InChIInChI=1S/C12H17NO/c1-4-10-8-6-7-9-12(10,3)13-11(14)5-2/h5-10H,2,4H2,1,3H3,(H,13,14)
InChIKeyYRUSMVUMHXGEMB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.20
Rot. Bonds3

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

N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide (PubChem CID 67859817) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide
PubChem CID67859817
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide
SMILESC=CC(=O)NC1(C)C=CC=CC1CC
InChIInChI=1S/C12H17NO/c1-4-10-8-6-7-9-12(10,3)13-11(14)5-2/h5-10H,2,4H2,1,3H3,(H,13,14)
InChIKeyYRUSMVUMHXGEMB-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.20
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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Related Compounds

(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide
CID 135056567
6-(3-methylbutyl)-1H-pyridin-2-one
CID 19917708
(E)-N-tert-butyl-2-propan-2-ylhex-4-enamide
CID 20790239
N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)prop-2-enamide
CID 70619410
5-methyl-6-pentan-2-yl-1H-pyridin-2-one
CID 89301018
N-[(6R)-6-propan-2-ylcyclohexa-1,3-dien-1-yl]propanamide
CID 89344236
6-(2,3-dimethylhexan-2-yl)-1H-pyridin-2-one
CID 89650997
3-methyl-N-(1-propan-2-ylcyclopent-3-en-1-yl)butanamide
CID 89691952
6-(4-methylhex-4-en-2-yl)-1H-pyridin-2-one
CID 123446409
2,2,5-Trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one
CID 123928500
6-hexan-3-yl-1H-pyridin-2-one
CID 126560886
6-pentan-2-yl-1H-pyridin-2-one
CID 126658810

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
The IUPAC name of N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide (CID 67859817) is N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide.
What is the SMILES notation for N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
The canonical SMILES for N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide is C=CC(=O)NC1(C)C=CC=CC1CC.
What is the InChIKey of N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
The InChIKey is YRUSMVUMHXGEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-8-6-7-9-12(10,3)13-11(14)5-2/h5-10H,2,4H2,1,3H3,(H,13,14).
What are the key properties of N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide?
N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide has a molecular weight of 191.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enamide is sourced from PubChem (CID 67859817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).