propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate

C8H14N2O4 — CID 167529588

IUPACpropan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate
SMILESCC(C)OC(=O)/N=C/C(C)OC(N)=O
InChIInChI=1S/C8H14N2O4/c1-5(2)13-8(12)10-4-6(3)14-7(9)11/h4-6H,1-3H3,(H2,9,11)/b10-4+
InChIKeyGOHKXJFUNQEUTI-ONNFQVAWSA-N
MW202.21 g/mol
LogP1.09
Rot. Bonds3

About propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate

propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate (PubChem CID 167529588) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate.

Molecular Properties

Compound Namepropan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate
PubChem CID167529588
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namepropan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate
SMILESCC(C)OC(=O)/N=C/C(C)OC(N)=O
InChIInChI=1S/C8H14N2O4/c1-5(2)13-8(12)10-4-6(3)14-7(9)11/h4-6H,1-3H3,(H2,9,11)/b10-4+
InChIKeyGOHKXJFUNQEUTI-ONNFQVAWSA-N
XLogP1.09
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methyliminopropyl carbamate
CID 142872517
4-Iminobutan-2-yl carbamate
CID 174549383
[(2R)-4-iminobutan-2-yl] carbamate
CID 174564321
3,4-dihydro-2H-pyrrol-4-yl carbamate
CID 175095145

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate?
The IUPAC name of propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate (CID 167529588) is propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate.
What is the SMILES notation for propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate?
The canonical SMILES for propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate is CC(C)OC(=O)/N=C/C(C)OC(N)=O.
What is the InChIKey of propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate?
The InChIKey is GOHKXJFUNQEUTI-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(2)13-8(12)10-4-6(3)14-7(9)11/h4-6H,1-3H3,(H2,9,11)/b10-4+.
What are the key properties of propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate?
propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate has a molecular weight of 202.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate is sourced from PubChem (CID 167529588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).