ethyl N-propan-2-ylidenecarbamate

C6H11NO2 — CID 21326240

IUPACethyl N-propan-2-ylidenecarbamate
SMILESCCOC(=O)N=C(C)C
InChIInChI=1S/C6H11NO2/c1-4-9-6(8)7-5(2)3/h4H2,1-3H3
InChIKeyXUVUEQPLUOBZMD-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.62
Rot. Bonds1

About ethyl N-propan-2-ylidenecarbamate

ethyl N-propan-2-ylidenecarbamate (PubChem CID 21326240) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl N-propan-2-ylidenecarbamate.

Molecular Properties

Compound Nameethyl N-propan-2-ylidenecarbamate
PubChem CID21326240
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl N-propan-2-ylidenecarbamate
SMILESCCOC(=O)N=C(C)C
InChIInChI=1S/C6H11NO2/c1-4-9-6(8)7-5(2)3/h4H2,1-3H3
InChIKeyXUVUEQPLUOBZMD-UHFFFAOYSA-N
XLogP1.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (1Z)-N-ethoxycarbonylethanimidate
CID 13488724
2,2,2-trifluoroethyl N-propan-2-ylidenecarbamate
CID 152957999
propyl (1E)-N-methoxycarbonylethanimidate
CID 21350809
(1-Ethoxy-ethylidene)-carbamic acid ethyl ester
CID 22392642
Ethyl N-(ethoxycarbonyl)ethanimidate
CID 54019727
Methyl 2-ethoxycarbonyliminopropanoate
CID 57155556
methyl N-propan-2-ylidenecarbamate
CID 57920466
4-Methyl-5,6-dihydro-1,3-oxazin-2-one
CID 68365443
4-methyl-5H-1,3-oxazol-2-one
CID 70405597
4-ethyl-5H-1,3-oxazol-2-one
CID 70605938
methyl N-butan-2-yloxycarbonylethanimidate
CID 73676668
ethyl N-(3-iminobutan-2-ylidene)carbamate
CID 123801779

Frequently Asked Questions

What is the IUPAC name of ethyl N-propan-2-ylidenecarbamate?
The IUPAC name of ethyl N-propan-2-ylidenecarbamate (CID 21326240) is ethyl N-propan-2-ylidenecarbamate.
What is the SMILES notation for ethyl N-propan-2-ylidenecarbamate?
The canonical SMILES for ethyl N-propan-2-ylidenecarbamate is CCOC(=O)N=C(C)C.
What is the InChIKey of ethyl N-propan-2-ylidenecarbamate?
The InChIKey is XUVUEQPLUOBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-9-6(8)7-5(2)3/h4H2,1-3H3.
What are the key properties of ethyl N-propan-2-ylidenecarbamate?
ethyl N-propan-2-ylidenecarbamate has a molecular weight of 129.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propan-2-ylidenecarbamate is sourced from PubChem (CID 21326240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).