N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide

C11H19NO2 — CID 81449431

IUPACN-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCCCO)C1C2CCCCC21
InChIInChI=1S/C11H19NO2/c13-7-3-6-12-11(14)10-8-4-1-2-5-9(8)10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyVKOKOIOZUQDILZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.92
Rot. Bonds4

About N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 81449431) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID81449431
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCCCO)C1C2CCCCC21
InChIInChI=1S/C11H19NO2/c13-7-3-6-12-11(14)10-8-4-1-2-5-9(8)10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyVKOKOIOZUQDILZ-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
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-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
CID 81454952

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 81449431) is N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(NCCCO)C1C2CCCCC21.
What is the InChIKey of N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is VKOKOIOZUQDILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-7-3-6-12-11(14)10-8-4-1-2-5-9(8)10/h8-10,13H,1-7H2,(H,12,14).
What are the key properties of N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 81449431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).