[4-(cyanomethoxy)oxolan-3-yl] carbamate

C7H10N2O4 — CID 142907023

IUPAC[4-(cyanomethoxy)oxolan-3-yl] carbamate
SMILESN#CCOC1COCC1OC(N)=O
InChIInChI=1S/C7H10N2O4/c8-1-2-12-5-3-11-4-6(5)13-7(9)10/h5-6H,2-4H2,(H2,9,10)
InChIKeyLDTSOBDQBUJDQA-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.61
Rot. Bonds3

About [4-(cyanomethoxy)oxolan-3-yl] carbamate

[4-(cyanomethoxy)oxolan-3-yl] carbamate (PubChem CID 142907023) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is [4-(cyanomethoxy)oxolan-3-yl] carbamate.

Molecular Properties

Compound Name[4-(cyanomethoxy)oxolan-3-yl] carbamate
PubChem CID142907023
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name[4-(cyanomethoxy)oxolan-3-yl] carbamate
SMILESN#CCOC1COCC1OC(N)=O
InChIInChI=1S/C7H10N2O4/c8-1-2-12-5-3-11-4-6(5)13-7(9)10/h5-6H,2-4H2,(H2,9,10)
InChIKeyLDTSOBDQBUJDQA-UHFFFAOYSA-N
XLogP-0.61
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminooxolan-3-yl) carbamate
CID 90426775
[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate
CID 102394469
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
CID 175218198
[(1R,2R)-2-methylcyclopropyl] carbamate
CID 171719227
[(3S,3aR,6R,6aR)-6-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 118973915
(4-hydroxyoxolan-3-yl) 2-aminoacetate
CID 131172210
3,4-diethoxyoxolane
CID 14307969
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
(3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl) carbamate
CID 141150025
3-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-oxopropanenitrile
CID 171938832
[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate
CID 139541071
cyanomethyl spiro[2.3]hexane-2-carboxylate
CID 130614827

Frequently Asked Questions

What is the IUPAC name of [4-(cyanomethoxy)oxolan-3-yl] carbamate?
The IUPAC name of [4-(cyanomethoxy)oxolan-3-yl] carbamate (CID 142907023) is [4-(cyanomethoxy)oxolan-3-yl] carbamate.
What is the SMILES notation for [4-(cyanomethoxy)oxolan-3-yl] carbamate?
The canonical SMILES for [4-(cyanomethoxy)oxolan-3-yl] carbamate is N#CCOC1COCC1OC(N)=O.
What is the InChIKey of [4-(cyanomethoxy)oxolan-3-yl] carbamate?
The InChIKey is LDTSOBDQBUJDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c8-1-2-12-5-3-11-4-6(5)13-7(9)10/h5-6H,2-4H2,(H2,9,10).
What are the key properties of [4-(cyanomethoxy)oxolan-3-yl] carbamate?
[4-(cyanomethoxy)oxolan-3-yl] carbamate has a molecular weight of 186.17 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyanomethoxy)oxolan-3-yl] carbamate is sourced from PubChem (CID 142907023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).