N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide

C13H23NO2 — CID 107318652

IUPACN-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCCCCCO)C1C2CCCCC21
InChIInChI=1S/C13H23NO2/c15-9-5-1-4-8-14-13(16)12-10-6-2-3-7-11(10)12/h10-12,15H,1-9H2,(H,14,16)
InChIKeyIQCSXAWLQUGKQR-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.70
Rot. Bonds6

About N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 107318652) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID107318652
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCCCCCO)C1C2CCCCC21
InChIInChI=1S/C13H23NO2/c15-9-5-1-4-8-14-13(16)12-10-6-2-3-7-11(10)12/h10-12,15H,1-9H2,(H,14,16)
InChIKeyIQCSXAWLQUGKQR-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
N-(6-hydroxyhexyl)thiolane-2-carboxamide
CID 103919325

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 107318652) is N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(NCCCCCO)C1C2CCCCC21.
What is the InChIKey of N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is IQCSXAWLQUGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-9-5-1-4-8-14-13(16)12-10-6-2-3-7-11(10)12/h10-12,15H,1-9H2,(H,14,16).
What are the key properties of N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 107318652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).