(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate

C10H15NO3 — CID 14319660

IUPAC(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate
SMILESCC(=O)OC1(C(N)=O)C2CCCCC21
InChIInChI=1S/C10H15NO3/c1-6(12)14-10(9(11)13)7-4-2-3-5-8(7)10/h7-8H,2-5H2,1H3,(H2,11,13)
InChIKeyKKCRZDWCTGHMTR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.59
Rot. Bonds2

About (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate

(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate (PubChem CID 14319660) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate.

Molecular Properties

Compound Name(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate
PubChem CID14319660
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate
SMILESCC(=O)OC1(C(N)=O)C2CCCCC21
InChIInChI=1S/C10H15NO3/c1-6(12)14-10(9(11)13)7-4-2-3-5-8(7)10/h7-8H,2-5H2,1H3,(H2,11,13)
InChIKeyKKCRZDWCTGHMTR-UHFFFAOYSA-N
XLogP0.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91131251
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1-bicyclo[3.3.2]decanyl acetate
CID 14119621
7-oxabicyclo[4.1.0]heptan-1-yl acetate
CID 539060
[(1R,2R)-2-hydroxy-1-methylcyclohexyl] acetate
CID 11062866
acetic acid;1-bicyclo[2.2.2]octanyl acetate
CID 70587796
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
(6-acetyloxycyclodecyl) acetate
CID 539578
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
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(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate
CID 87200662

Frequently Asked Questions

What is the IUPAC name of (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate?
The IUPAC name of (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate (CID 14319660) is (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate.
What is the SMILES notation for (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate?
The canonical SMILES for (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate is CC(=O)OC1(C(N)=O)C2CCCCC21.
What is the InChIKey of (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate?
The InChIKey is KKCRZDWCTGHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(12)14-10(9(11)13)7-4-2-3-5-8(7)10/h7-8H,2-5H2,1H3,(H2,11,13).
What are the key properties of (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate?
(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate has a molecular weight of 197.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate is sourced from PubChem (CID 14319660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).