3-oxoheptyl carbamate

C8H15NO3 — CID 151371373

IUPAC3-oxoheptyl carbamate
SMILESCCCCC(=O)CCOC(N)=O
InChIInChI=1S/C8H15NO3/c1-2-3-4-7(10)5-6-12-8(9)11/h2-6H2,1H3,(H2,9,11)
InChIKeyOQNBINIENAEKEK-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.23
Rot. Bonds6

About 3-oxoheptyl carbamate

3-oxoheptyl carbamate (PubChem CID 151371373) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-oxoheptyl carbamate.

Molecular Properties

Compound Name3-oxoheptyl carbamate
PubChem CID151371373
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-oxoheptyl carbamate
SMILESCCCCC(=O)CCOC(N)=O
InChIInChI=1S/C8H15NO3/c1-2-3-4-7(10)5-6-12-8(9)11/h2-6H2,1H3,(H2,9,11)
InChIKeyOQNBINIENAEKEK-UHFFFAOYSA-N
XLogP1.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
3-oxoheptyl 2-hydroxybutanoate
CID 174877989
ethane;pentyl carbamate
CID 142339635
octacosyl carbamate
CID 160925840
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
2-oxodecyl carbamate
CID 175306770
methanol;octan-4-one
CID 174820687
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782
propyl carbamate;dihydrochloride
CID 87576214

Frequently Asked Questions

What is the IUPAC name of 3-oxoheptyl carbamate?
The IUPAC name of 3-oxoheptyl carbamate (CID 151371373) is 3-oxoheptyl carbamate.
What is the SMILES notation for 3-oxoheptyl carbamate?
The canonical SMILES for 3-oxoheptyl carbamate is CCCCC(=O)CCOC(N)=O.
What is the InChIKey of 3-oxoheptyl carbamate?
The InChIKey is OQNBINIENAEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-4-7(10)5-6-12-8(9)11/h2-6H2,1H3,(H2,9,11).
What are the key properties of 3-oxoheptyl carbamate?
3-oxoheptyl carbamate has a molecular weight of 173.21 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxoheptyl carbamate is sourced from PubChem (CID 151371373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).