[(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone

C14H18N2O2 — CID 86636978

IUPAC[(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone
SMILESCO/N=C1/CCN(C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-14(2)12(15-18-3)9-10-16(14)13(17)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b15-12-
InChIKeyPSJHRBICIZKUJN-QINSGFPZSA-N
MW246.31 g/mol
LogP2.31
Rot. Bonds2

About [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone

[(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone (PubChem CID 86636978) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone
PubChem CID86636978
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone
SMILESCO/N=C1/CCN(C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-14(2)12(15-18-3)9-10-16(14)13(17)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b15-12-
InChIKeyPSJHRBICIZKUJN-QINSGFPZSA-N
XLogP2.31
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-2,2-dimethylpyrrolidin-3-one
CID 66936289
1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
CID 115269266
methyl 2-benzoyl-4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylate
CID 139095289
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279
1-benzoyl-5-methyl-2H-pyrrole-5-carboxylic acid
CID 5459687
phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone
CID 15402478
2-benzoyl-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-1-carbaldehyde
CID 102421500
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
dimethyl 1,4-dibenzoyl-7-phenyl-6-sulfanylidene-1,4,7-triazaspiro[4.4]non-8-ene-8,9-dicarboxylate
CID 102320825
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone (CID 86636978) is [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone is CO/N=C1/CCN(C(=O)c2ccccc2)C1(C)C.
What is the InChIKey of [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone?
The InChIKey is PSJHRBICIZKUJN-QINSGFPZSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)12(15-18-3)9-10-16(14)13(17)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b15-12-.
What are the key properties of [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone?
[(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone has a molecular weight of 246.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-methoxyimino-2,2-dimethylpyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 86636978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).