(2-oxoazepan-3-yl) carbamate

C7H12N2O3 — CID 175088958

IUPAC(2-oxoazepan-3-yl) carbamate
SMILESNC(=O)OC1CCCCNC1=O
InChIInChI=1S/C7H12N2O3/c8-7(11)12-5-3-1-2-4-9-6(5)10/h5H,1-4H2,(H2,8,11)(H,9,10)
InChIKeyYQYVERGHSFPHFE-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.25
Rot. Bonds1

About (2-oxoazepan-3-yl) carbamate

(2-oxoazepan-3-yl) carbamate (PubChem CID 175088958) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2-oxoazepan-3-yl) carbamate.

Molecular Properties

Compound Name(2-oxoazepan-3-yl) carbamate
PubChem CID175088958
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2-oxoazepan-3-yl) carbamate
SMILESNC(=O)OC1CCCCNC1=O
InChIInChI=1S/C7H12N2O3/c8-7(11)12-5-3-1-2-4-9-6(5)10/h5H,1-4H2,(H2,8,11)(H,9,10)
InChIKeyYQYVERGHSFPHFE-UHFFFAOYSA-N
XLogP-0.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxoazepan-3-yl) nitrate
CID 134716136
(2-oxoazepan-3-yl) 5-aminopyridine-2-carboxylate
CID 81317387
(2-oxoazepan-3-yl) 2-amino-3-chlorobenzoate
CID 115280405
(2-oxoazepan-3-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66123455
[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate
CID 54290526
3-(2-aminocyclopentyl)oxyazepan-2-one
CID 106938939
3-(2-aminocyclohexyl)oxyazepan-2-one
CID 106938972
(2-oxoazepan-3-yl) 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62816374
3-(2-aminopropoxy)azepan-2-one
CID 164664183
(2-oxoazepan-3-yl) 5-amino-2-(dimethylamino)benzoate
CID 61323521
3-(2-amino-2-methylbutoxy)azepan-2-one
CID 106938324
[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
CID 156835139

Frequently Asked Questions

What is the IUPAC name of (2-oxoazepan-3-yl) carbamate?
The IUPAC name of (2-oxoazepan-3-yl) carbamate (CID 175088958) is (2-oxoazepan-3-yl) carbamate.
What is the SMILES notation for (2-oxoazepan-3-yl) carbamate?
The canonical SMILES for (2-oxoazepan-3-yl) carbamate is NC(=O)OC1CCCCNC1=O.
What is the InChIKey of (2-oxoazepan-3-yl) carbamate?
The InChIKey is YQYVERGHSFPHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-7(11)12-5-3-1-2-4-9-6(5)10/h5H,1-4H2,(H2,8,11)(H,9,10).
What are the key properties of (2-oxoazepan-3-yl) carbamate?
(2-oxoazepan-3-yl) carbamate has a molecular weight of 172.18 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoazepan-3-yl) carbamate is sourced from PubChem (CID 175088958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).