N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

C14H23NO3 — CID 79209200

IUPACN-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1C2CCCCC21
InChIInChI=1S/C14H23NO3/c16-13(12-10-3-1-2-4-11(10)12)15-9-14(17)5-7-18-8-6-14/h10-12,17H,1-9H2,(H,15,16)
InChIKeyXIUBWHBSGYNNEJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.08
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79209200) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79209200
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1C2CCCCC21
InChIInChI=1S/C14H23NO3/c16-13(12-10-3-1-2-4-11(10)12)15-9-14(17)5-7-18-8-6-14/h10-12,17H,1-9H2,(H,15,16)
InChIKeyXIUBWHBSGYNNEJ-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95986197
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
3-[(4-hydroxyoxan-4-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 81134958
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 136511579
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide
CID 111486098
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 79209200) is N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is O=C(NCC1(O)CCOCC1)C1C2CCCCC21.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is XIUBWHBSGYNNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(12-10-3-1-2-4-11(10)12)15-9-14(17)5-7-18-8-6-14/h10-12,17H,1-9H2,(H,15,16).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).