N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide

C15H21NO — CID 123478390

IUPACN-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide
SMILESC=CC(=CC=CC)/C(=N/C(=O)C=CC)C(C)C
InChIInChI=1S/C15H21NO/c1-6-9-11-13(8-3)15(12(4)5)16-14(17)10-7-2/h6-12H,3H2,1-2,4-5H3/b9-6?,10-7?,13-11?,16-15+
InChIKeyQIFWKLHDSNTGKQ-DMZWQKSISA-N
MW231.34 g/mol
LogP3.87
Rot. Bonds5

About N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide

N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide (PubChem CID 123478390) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide.

Molecular Properties

Compound NameN-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide
PubChem CID123478390
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide
SMILESC=CC(=CC=CC)/C(=N/C(=O)C=CC)C(C)C
InChIInChI=1S/C15H21NO/c1-6-9-11-13(8-3)15(12(4)5)16-14(17)10-7-2/h6-12H,3H2,1-2,4-5H3/b9-6?,10-7?,13-11?,16-15+
InChIKeyQIFWKLHDSNTGKQ-DMZWQKSISA-N
XLogP3.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4,7-Ditert-butylazepin-2-one
CID 10584976
Benzazoninone
CID 20269004
3-fluoro-4-methyl-4aH-quinolin-2-one
CID 76130808
7-fluoro-4-methyl-4aH-quinolin-2-one
CID 76220766
8-fluoro-4-methyl-4aH-quinolin-2-one
CID 118797520
6-fluoro-4-methyl-4aH-quinolin-2-one
CID 178186131
3-Methyl-1-benzazepin-2-one
CID 20546908
4-Tert-butylindol-2-one
CID 20620204
4-Propan-2-ylindol-2-one
CID 20698713
5-Propylindol-2-one
CID 23212396
1-Benzazonin-2-one
CID 53737426
5-Azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one
CID 57220812

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide?
The IUPAC name of N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide (CID 123478390) is N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide.
What is the SMILES notation for N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide?
The canonical SMILES for N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide is C=CC(=CC=CC)/C(=N/C(=O)C=CC)C(C)C.
What is the InChIKey of N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide?
The InChIKey is QIFWKLHDSNTGKQ-DMZWQKSISA-N. The full InChI is InChI=1S/C15H21NO/c1-6-9-11-13(8-3)15(12(4)5)16-14(17)10-7-2/h6-12H,3H2,1-2,4-5H3/b9-6?,10-7?,13-11?,16-15+.
What are the key properties of N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide?
N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-2-methylocta-4,6-dien-3-ylidene)but-2-enamide is sourced from PubChem (CID 123478390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).