(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one

C14H19NO2 — CID 135045536

IUPAC(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one
SMILESCC(C)(C)C(O)C(=O)/C=C\Nc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(17)12(16)9-10-15-11-7-5-4-6-8-11/h4-10,13,15,17H,1-3H3/b10-9-
InChIKeyABOJBTVAHMZDQZ-KTKRTIGZSA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds4

About (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one

(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one (PubChem CID 135045536) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one
PubChem CID135045536
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one
SMILESCC(C)(C)C(O)C(=O)/C=C\Nc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(17)12(16)9-10-15-11-7-5-4-6-8-11/h4-10,13,15,17H,1-3H3/b10-9-
InChIKeyABOJBTVAHMZDQZ-KTKRTIGZSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-anilino-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 139030211
(Z)-3-anilinoprop-2-enamide
CID 143937122
1-anilino-5-phenylpenta-1,4-dien-3-one
CID 3796923
benzene;bis(N-prop-1-enylaniline)
CID 70363490
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
4-[(4,4-dimethyl-3-oxopent-1-enyl)amino]benzoic acid
CID 889304
2-anilinoethenol
CID 154058037
N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline
CID 134513247
(2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide
CID 142372186
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
4-[[3-oxo-3-(4-propan-2-yloxyphenyl)prop-1-enyl]amino]benzoic acid
CID 3507537

Frequently Asked Questions

What is the IUPAC name of (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one?
The IUPAC name of (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one (CID 135045536) is (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one.
What is the SMILES notation for (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one?
The canonical SMILES for (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one is CC(C)(C)C(O)C(=O)/C=C\Nc1ccccc1.
What is the InChIKey of (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one?
The InChIKey is ABOJBTVAHMZDQZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)13(17)12(16)9-10-15-11-7-5-4-6-8-11/h4-10,13,15,17H,1-3H3/b10-9-.
What are the key properties of (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one?
(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one is sourced from PubChem (CID 135045536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).