7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone

C14H22N2O2 — CID 104930843

IUPAC7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2C3CCCCC32)CCC1=NO
InChIInChI=1S/C14H22N2O2/c1-9-8-16(7-6-12(9)15-18)14(17)13-10-4-2-3-5-11(10)13/h9-11,13,18H,2-8H2,1H3
InChIKeyAULZQQWODFNQKO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.12
Rot. Bonds1

About 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone

7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone (PubChem CID 104930843) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
PubChem CID104930843
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2C3CCCCC32)CCC1=NO
InChIInChI=1S/C14H22N2O2/c1-9-8-16(7-6-12(9)15-18)14(17)13-10-4-2-3-5-11(10)13/h9-11,13,18H,2-8H2,1H3
InChIKeyAULZQQWODFNQKO-UHFFFAOYSA-N
XLogP2.12
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-hydroxyimino-3-methylpiperidin-1-yl)-(thian-2-yl)methanone
CID 104930782
(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 104930803
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
CID 104930760
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126803
2,3-dihydro-1H-inden-5-yl-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500815
N-(1-cyclopentyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104930985
(5-bromothiophen-3-yl)-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 107962412
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793
(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511117
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103118431
(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone (CID 104930843) is 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)C2C3CCCCC32)CCC1=NO.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone?
The InChIKey is AULZQQWODFNQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-8-16(7-6-12(9)15-18)14(17)13-10-4-2-3-5-11(10)13/h9-11,13,18H,2-8H2,1H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 104930843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).