butane;(2E)-N,2-dimethylpenta-2,4-dienamide

C11H21NO — CID 143504833

IUPACbutane;(2E)-N,2-dimethylpenta-2,4-dienamide
SMILESC=C/C=C(\C)C(=O)NC.CCCC
InChIInChI=1S/C7H11NO.C4H10/c1-4-5-6(2)7(9)8-3;1-3-4-2/h4-5H,1H2,2-3H3,(H,8,9);3-4H2,1-2H3/b6-5+;
InChIKeyBPBSLZIEIPTIGZ-IPZCTEOASA-N
MW183.29 g/mol
LogP2.67
Rot. Bonds3

About butane;(2E)-N,2-dimethylpenta-2,4-dienamide

butane;(2E)-N,2-dimethylpenta-2,4-dienamide (PubChem CID 143504833) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is butane;(2E)-N,2-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Namebutane;(2E)-N,2-dimethylpenta-2,4-dienamide
PubChem CID143504833
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Namebutane;(2E)-N,2-dimethylpenta-2,4-dienamide
SMILESC=C/C=C(\C)C(=O)NC.CCCC
InChIInChI=1S/C7H11NO.C4H10/c1-4-5-6(2)7(9)8-3;1-3-4-2/h4-5H,1H2,2-3H3,(H,8,9);3-4H2,1-2H3/b6-5+;
InChIKeyBPBSLZIEIPTIGZ-IPZCTEOASA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.67
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'}

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Related Compounds

(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide
CID 145305765
(4E)-4-methyl-3-oxohepta-4,6-dienoic acid
CID 88512756
4-methyldeca-1,3-diene-5,6-dione
CID 91542412
N,2-dimethylundec-2-enamide
CID 4562078
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
CID 130205003
(E)-N'-ethyl-N,2-dimethylbut-2-enediamide
CID 87791357
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
(2Z,7Z)-8-[4-[2-(dimethylamino)ethoxy]phenyl]-7-methyl-6-methylidene-3-propyl-1,2,4-thiadiazocin-5-amine;(2Z)-N,2-dimethylpenta-2,4-dienamide
CID 143535466
(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932

Frequently Asked Questions

What is the IUPAC name of butane;(2E)-N,2-dimethylpenta-2,4-dienamide?
The IUPAC name of butane;(2E)-N,2-dimethylpenta-2,4-dienamide (CID 143504833) is butane;(2E)-N,2-dimethylpenta-2,4-dienamide.
What is the SMILES notation for butane;(2E)-N,2-dimethylpenta-2,4-dienamide?
The canonical SMILES for butane;(2E)-N,2-dimethylpenta-2,4-dienamide is C=C/C=C(\C)C(=O)NC.CCCC.
What is the InChIKey of butane;(2E)-N,2-dimethylpenta-2,4-dienamide?
The InChIKey is BPBSLZIEIPTIGZ-IPZCTEOASA-N. The full InChI is InChI=1S/C7H11NO.C4H10/c1-4-5-6(2)7(9)8-3;1-3-4-2/h4-5H,1H2,2-3H3,(H,8,9);3-4H2,1-2H3/b6-5+;.
What are the key properties of butane;(2E)-N,2-dimethylpenta-2,4-dienamide?
butane;(2E)-N,2-dimethylpenta-2,4-dienamide has a molecular weight of 183.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(2E)-N,2-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 143504833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).