N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide

C16H24N2O2 — CID 2834024

IUPACN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)C2C3CCCCC32)C1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-10(7-11(19)9-16)17-18-15(20)14-12-5-3-4-6-13(12)14/h12-14H,3-9H2,1-2H3,(H,18,20)
InChIKeyPPMVTAATPZLMJM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.67
Rot. Bonds2

About N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 2834024) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID2834024
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)C2C3CCCCC32)C1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-10(7-11(19)9-16)17-18-15(20)14-12-5-3-4-6-13(12)14/h12-14H,3-9H2,1-2H3,(H,18,20)
InChIKeyPPMVTAATPZLMJM-UHFFFAOYSA-N
XLogP2.67
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide (CID 2834024) is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide is CC1(C)CC(=O)CC(=NNC(=O)C2C3CCCCC32)C1.
What is the InChIKey of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is PPMVTAATPZLMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)8-10(7-11(19)9-16)17-18-15(20)14-12-5-3-4-6-13(12)14/h12-14H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 2834024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).