2-carbamoyloxyethenyl N-propan-2-ylcarbamate

C7H12N2O4 — CID 138742163

IUPAC2-carbamoyloxyethenyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC=COC(N)=O
InChIInChI=1S/C7H12N2O4/c1-5(2)9-7(11)13-4-3-12-6(8)10/h3-5H,1-2H3,(H2,8,10)(H,9,11)
InChIKeyHNIYOISUWUUFAE-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.69
Rot. Bonds3

About 2-carbamoyloxyethenyl N-propan-2-ylcarbamate

2-carbamoyloxyethenyl N-propan-2-ylcarbamate (PubChem CID 138742163) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-carbamoyloxyethenyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-carbamoyloxyethenyl N-propan-2-ylcarbamate
PubChem CID138742163
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-carbamoyloxyethenyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC=COC(N)=O
InChIInChI=1S/C7H12N2O4/c1-5(2)9-7(11)13-4-3-12-6(8)10/h3-5H,1-2H3,(H2,8,10)(H,9,11)
InChIKeyHNIYOISUWUUFAE-UHFFFAOYSA-N
XLogP0.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
[(E)-2-aminoethenyl] carbamate
CID 154551907
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
CID 45110489
[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
CID 58818558
(Z)-3-amino-N-propan-2-ylbut-2-enamide
CID 55280984
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate
CID 131667708

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyloxyethenyl N-propan-2-ylcarbamate?
The IUPAC name of 2-carbamoyloxyethenyl N-propan-2-ylcarbamate (CID 138742163) is 2-carbamoyloxyethenyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-carbamoyloxyethenyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-carbamoyloxyethenyl N-propan-2-ylcarbamate is CC(C)NC(=O)OC=COC(N)=O.
What is the InChIKey of 2-carbamoyloxyethenyl N-propan-2-ylcarbamate?
The InChIKey is HNIYOISUWUUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-5(2)9-7(11)13-4-3-12-6(8)10/h3-5H,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-carbamoyloxyethenyl N-propan-2-ylcarbamate?
2-carbamoyloxyethenyl N-propan-2-ylcarbamate has a molecular weight of 188.18 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxyethenyl N-propan-2-ylcarbamate is sourced from PubChem (CID 138742163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).