N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide

C11H19NO2 — CID 106843014

IUPACN-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCCCO)C1CC2CC2C1
InChIInChI=1S/C11H19NO2/c13-4-2-1-3-12-11(14)10-6-8-5-9(8)7-10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyGQHUNYAIMSIJTN-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.92
Rot. Bonds5

About N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 106843014) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID106843014
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCCCO)C1CC2CC2C1
InChIInChI=1S/C11H19NO2/c13-4-2-1-3-12-11(14)10-6-8-5-9(8)7-10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyGQHUNYAIMSIJTN-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106129275
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
N-[2-(6-hydroxyhexylamino)ethyl]cyclopropanecarboxamide
CID 103738634
N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103918890
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 106843014) is N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCCCCO)C1CC2CC2C1.
What is the InChIKey of N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is GQHUNYAIMSIJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-4-2-1-3-12-11(14)10-6-8-5-9(8)7-10/h8-10,13H,1-7H2,(H,12,14).
What are the key properties of N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 106843014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).