4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one

C12H17NO — CID 130252489

IUPAC4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one
SMILESCC=CC(C)(C)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C12H17NO/c1-4-6-12(2,3)9-10-5-7-13-11(14)8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyHGTUKLZHCNNNSS-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.52
Rot. Bonds3

About 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one

4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one (PubChem CID 130252489) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one
PubChem CID130252489
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one
SMILESCC=CC(C)(C)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C12H17NO/c1-4-6-12(2,3)9-10-5-7-13-11(14)8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyHGTUKLZHCNNNSS-UHFFFAOYSA-N
XLogP2.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 154206821
ethane;4-(methylaminomethyl)-1H-pyridin-2-one
CID 145154349
(2-oxo-1H-pyridin-4-yl)methylcarbamic acid
CID 68696250
4-(2-butoxyethyl)-1H-pyridin-2-one
CID 89218286
2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide
CID 163857396
2-(2,2-dimethylpropyl)-1H-pyridin-4-one
CID 91244229
ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
CID 142506794
4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one
CID 82063327
4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 106345320
ethane;bis(4-methyl-1H-pyridin-2-one)
CID 158231683
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
CID 170607266
4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one
CID 114039685

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one (CID 130252489) is 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one is CC=CC(C)(C)Cc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one?
The InChIKey is HGTUKLZHCNNNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-12(2,3)9-10-5-7-13-11(14)8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one?
4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 130252489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).