N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide

C13H19NO — CID 89017740

IUPACN-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide
SMILESC=CC1=CC=C(C)CC1N(C)C(=O)CC
InChIInChI=1S/C13H19NO/c1-5-11-8-7-10(3)9-12(11)14(4)13(15)6-2/h5,7-8,12H,1,6,9H2,2-4H3
InChIKeyVALPETMMFGIDBF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds3

About N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide

N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide (PubChem CID 89017740) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide
PubChem CID89017740
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide
SMILESC=CC1=CC=C(C)CC1N(C)C(=O)CC
InChIInChI=1S/C13H19NO/c1-5-11-8-7-10(3)9-12(11)14(4)13(15)6-2/h5,7-8,12H,1,6,9H2,2-4H3
InChIKeyVALPETMMFGIDBF-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide?
The IUPAC name of N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide (CID 89017740) is N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide is C=CC1=CC=C(C)CC1N(C)C(=O)CC.
What is the InChIKey of N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide?
The InChIKey is VALPETMMFGIDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-11-8-7-10(3)9-12(11)14(4)13(15)6-2/h5,7-8,12H,1,6,9H2,2-4H3.
What are the key properties of N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide?
N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide has a molecular weight of 205.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-5-methylcyclohexa-2,4-dien-1-yl)-N-methylpropanamide is sourced from PubChem (CID 89017740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).