benzyl N-(propan-2-ylideneamino)carbamate

C11H14N2O2 — CID 15732451

IUPACbenzyl N-(propan-2-ylideneamino)carbamate
SMILESCC(C)=NNC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-9(2)12-13-11(14)15-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyGPHMNHLVOXQUKC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.31
Rot. Bonds3

About benzyl N-(propan-2-ylideneamino)carbamate

benzyl N-(propan-2-ylideneamino)carbamate (PubChem CID 15732451) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is benzyl N-(propan-2-ylideneamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(propan-2-ylideneamino)carbamate
PubChem CID15732451
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namebenzyl N-(propan-2-ylideneamino)carbamate
SMILESCC(C)=NNC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-9(2)12-13-11(14)15-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyGPHMNHLVOXQUKC-UHFFFAOYSA-N
XLogP2.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(propan-2-ylideneamino)carbamate?
The IUPAC name of benzyl N-(propan-2-ylideneamino)carbamate (CID 15732451) is benzyl N-(propan-2-ylideneamino)carbamate.
What is the SMILES notation for benzyl N-(propan-2-ylideneamino)carbamate?
The canonical SMILES for benzyl N-(propan-2-ylideneamino)carbamate is CC(C)=NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(propan-2-ylideneamino)carbamate?
The InChIKey is GPHMNHLVOXQUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(2)12-13-11(14)15-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of benzyl N-(propan-2-ylideneamino)carbamate?
benzyl N-(propan-2-ylideneamino)carbamate has a molecular weight of 206.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(propan-2-ylideneamino)carbamate is sourced from PubChem (CID 15732451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).