N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide

C13H23NO2 — CID 109478793

IUPACN-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCCC(CCO)NC(=O)C1C2CCCCC21
InChIInChI=1S/C13H23NO2/c1-2-9(7-8-15)14-13(16)12-10-5-3-4-6-11(10)12/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyYYYAFPIGJRCUJU-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.70
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide

N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 109478793) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID109478793
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCCC(CCO)NC(=O)C1C2CCCCC21
InChIInChI=1S/C13H23NO2/c1-2-9(7-8-15)14-13(16)12-10-5-3-4-6-11(10)12/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyYYYAFPIGJRCUJU-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103920219
(2S)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-4-hydroxybutanoic acid
CID 107822655
N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 113428473
N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 115767243
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 110012241
3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551207
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 103579393
1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea
CID 111454492
1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111454546
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-[(2R)-1-aminopropan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 104872968

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 109478793) is N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide is CCC(CCO)NC(=O)C1C2CCCCC21.
What is the InChIKey of N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is YYYAFPIGJRCUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-9(7-8-15)14-13(16)12-10-5-3-4-6-11(10)12/h9-12,15H,2-8H2,1H3,(H,14,16).
What are the key properties of N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 109478793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).