N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

C14H18N2O — CID 112557420

IUPACN-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccc(N)c(NC(=O)C2C3CCCC32)c1
InChIInChI=1S/C14H18N2O/c1-8-5-6-11(15)12(7-8)16-14(17)13-9-3-2-4-10(9)13/h5-7,9-10,13H,2-4,15H2,1H3,(H,16,17)
InChIKeyGPKHGDAWIHDQRG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.56
Rot. Bonds2

About N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 112557420) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID112557420
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccc(N)c(NC(=O)C2C3CCCC32)c1
InChIInChI=1S/C14H18N2O/c1-8-5-6-11(15)12(7-8)16-14(17)13-9-3-2-4-10(9)13/h5-7,9-10,13H,2-4,15H2,1H3,(H,16,17)
InChIKeyGPKHGDAWIHDQRG-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 112557420) is N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is Cc1ccc(N)c(NC(=O)C2C3CCCC32)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is GPKHGDAWIHDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-5-6-11(15)12(7-8)16-14(17)13-9-3-2-4-10(9)13/h5-7,9-10,13H,2-4,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 112557420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).