N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

C14H15NO2 — CID 106912187

IUPACN-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=Cc1ccc(NC(=O)C2C3CCCC32)cc1
InChIInChI=1S/C14H15NO2/c16-8-9-4-6-10(7-5-9)15-14(17)13-11-2-1-3-12(11)13/h4-8,11-13H,1-3H2,(H,15,17)
InChIKeyCDJRJBVBZWUJDE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.48
Rot. Bonds3

About N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 106912187) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID106912187
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=Cc1ccc(NC(=O)C2C3CCCC32)cc1
InChIInChI=1S/C14H15NO2/c16-8-9-4-6-10(7-5-9)15-14(17)13-11-2-1-3-12(11)13/h4-8,11-13H,1-3H2,(H,15,17)
InChIKeyCDJRJBVBZWUJDE-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600560
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593546
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516
(1S,4Z,8S)-N-(4-fluorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5415413
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
(1R,4Z,8E,12R)-N-(4-iodophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11891872

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 106912187) is N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is O=Cc1ccc(NC(=O)C2C3CCCC32)cc1.
What is the InChIKey of N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CDJRJBVBZWUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-8-9-4-6-10(7-5-9)15-14(17)13-11-2-1-3-12(11)13/h4-8,11-13H,1-3H2,(H,15,17).
What are the key properties of N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 106912187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).