(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide

C13H21NO — CID 142170609

IUPAC(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide
SMILESCCC/C=C(/C=C\C(C)=C(C)C)C(N)=O
InChIInChI=1S/C13H21NO/c1-5-6-7-12(13(14)15)9-8-11(4)10(2)3/h7-9H,5-6H2,1-4H3,(H2,14,15)/b9-8-,12-7-
InChIKeyUGHBFTQZAQDSRM-JRIAKMGRSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds5

About (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide

(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide (PubChem CID 142170609) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide
PubChem CID142170609
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide
SMILESCCC/C=C(/C=C\C(C)=C(C)C)C(N)=O
InChIInChI=1S/C13H21NO/c1-5-6-7-12(13(14)15)9-8-11(4)10(2)3/h7-9H,5-6H2,1-4H3,(H2,14,15)/b9-8-,12-7-
InChIKeyUGHBFTQZAQDSRM-JRIAKMGRSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylhex-2-enamide;hydrochloride
CID 141109029
(Z)-2-aminohex-2-enamide
CID 55284106
(Z)-2-aminohex-2-enamide;hydrochloride
CID 87933245
2-methylhex-2-enamide;propan-1-amine
CID 174435970
(Z)-2-aminohex-2-enamide;chloromethane
CID 126509379
(E)-2-ethylhex-2-enamide
CID 87982228
ethyl 2-carbamoylhex-2-enoate
CID 90691154
carbamoylurea;2-methylhex-2-ene
CID 174255335
(2E,3E,5E)-2-butylidene-5-fluoro-3-(2-methylbut-1-enyl)hepta-3,5-dienamide
CID 138698835
hex-2-enamide;2-methylprop-2-enamide
CID 174909220
(E)-3-iodohept-3-en-2-one
CID 101368269
(E,2Z)-2-butylideneoct-3-enoic acid
CID 172709713

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide?
The IUPAC name of (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide (CID 142170609) is (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide.
What is the SMILES notation for (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide?
The canonical SMILES for (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide is CCC/C=C(/C=C\C(C)=C(C)C)C(N)=O.
What is the InChIKey of (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide?
The InChIKey is UGHBFTQZAQDSRM-JRIAKMGRSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-7-12(13(14)15)9-8-11(4)10(2)3/h7-9H,5-6H2,1-4H3,(H2,14,15)/b9-8-,12-7-.
What are the key properties of (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide?
(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide has a molecular weight of 207.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide is sourced from PubChem (CID 142170609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).