(Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide

C13H25NO2 — CID 59432218

IUPAC(Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide
SMILESCC(/C(C(N)=O)=C(/O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-8(12(2,3)4)9(11(14)16)10(15)13(5,6)7/h8,15H,1-7H3,(H2,14,16)/b10-9-
InChIKeyCCJLPRLXVLLGDB-KTKRTIGZSA-N
MW227.35 g/mol
LogP3.01
Rot. Bonds2

About (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide

(Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide (PubChem CID 59432218) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide
PubChem CID59432218
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide
SMILESCC(/C(C(N)=O)=C(/O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-8(12(2,3)4)9(11(14)16)10(15)13(5,6)7/h8,15H,1-7H3,(H2,14,16)/b10-9-
InChIKeyCCJLPRLXVLLGDB-KTKRTIGZSA-N
XLogP3.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3,3-trimethylbutanamide
CID 11579125
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420
4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
CID 126550733
4-amino-2,2,3-trimethyl-4-oxobutanoic acid
CID 91540382
2,2,4,5,5-pentamethylhexan-3-one;2,2,5,5-tetramethylhexane-3,4-dione
CID 161494050
propan-2-yl (2R)-2,3,3-trimethylbutanoate
CID 59132044
2,3,3-trimethylbutanoate
CID 18945621
3,3,5-trimethyl-2-methylidenehexanamide
CID 139781680
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
(4S)-4,5,5-trimethylhexane-2,3-dione
CID 13299605
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide?
The IUPAC name of (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide (CID 59432218) is (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide?
The canonical SMILES for (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide is CC(/C(C(N)=O)=C(/O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide?
The InChIKey is CCJLPRLXVLLGDB-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H25NO2/c1-8(12(2,3)4)9(11(14)16)10(15)13(5,6)7/h8,15H,1-7H3,(H2,14,16)/b10-9-.
What are the key properties of (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide?
(Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 59432218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).