(1-cyano-2-methoxyethyl) carbamate

C5H8N2O3 — CID 154928164

IUPAC(1-cyano-2-methoxyethyl) carbamate
SMILESCOCC(C#N)OC(N)=O
InChIInChI=1S/C5H8N2O3/c1-9-3-4(2-6)10-5(7)8/h4H,3H2,1H3,(H2,7,8)
InChIKeyLWJWMHPVHULNML-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.38
Rot. Bonds3

About (1-cyano-2-methoxyethyl) carbamate

(1-cyano-2-methoxyethyl) carbamate (PubChem CID 154928164) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (1-cyano-2-methoxyethyl) carbamate.

Molecular Properties

Compound Name(1-cyano-2-methoxyethyl) carbamate
PubChem CID154928164
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(1-cyano-2-methoxyethyl) carbamate
SMILESCOCC(C#N)OC(N)=O
InChIInChI=1S/C5H8N2O3/c1-9-3-4(2-6)10-5(7)8/h4H,3H2,1H3,(H2,7,8)
InChIKeyLWJWMHPVHULNML-UHFFFAOYSA-N
XLogP-0.38
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,3-dimethoxypropanenitrile
CID 92976102
methyl 2-cyano-3-methoxypropanoate
CID 88578090
[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
CID 175397204
(1-cyano-3,3-dimethylbutan-2-yl) carbamate
CID 89240462
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
[(4S)-4-acetyloxy-4-cyanobutyl] acetate
CID 71407539
[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
CID 175304766
N-(1-cyano-2-methoxyethyl)acetamide
CID 127014883
1,2-dimethoxyethoxyurea
CID 87600210
(1-cyano-2-hydroxyethyl) 2,2-bis(sulfanyl)acetate
CID 88739377
1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694

Frequently Asked Questions

What is the IUPAC name of (1-cyano-2-methoxyethyl) carbamate?
The IUPAC name of (1-cyano-2-methoxyethyl) carbamate (CID 154928164) is (1-cyano-2-methoxyethyl) carbamate.
What is the SMILES notation for (1-cyano-2-methoxyethyl) carbamate?
The canonical SMILES for (1-cyano-2-methoxyethyl) carbamate is COCC(C#N)OC(N)=O.
What is the InChIKey of (1-cyano-2-methoxyethyl) carbamate?
The InChIKey is LWJWMHPVHULNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-9-3-4(2-6)10-5(7)8/h4H,3H2,1H3,(H2,7,8).
What are the key properties of (1-cyano-2-methoxyethyl) carbamate?
(1-cyano-2-methoxyethyl) carbamate has a molecular weight of 144.13 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyano-2-methoxyethyl) carbamate is sourced from PubChem (CID 154928164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).