ethyl N-(butan-2-ylideneamino)carbamate

C7H14N2O2 — CID 4613658

IUPACethyl N-(butan-2-ylideneamino)carbamate
SMILESCCOC(=O)NN=C(C)CC
InChIInChI=1S/C7H14N2O2/c1-4-6(3)8-9-7(10)11-5-2/h4-5H2,1-3H3,(H,9,10)
InChIKeyQFUUKJRPISZCNH-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.52
Rot. Bonds3

About ethyl N-(butan-2-ylideneamino)carbamate

ethyl N-(butan-2-ylideneamino)carbamate (PubChem CID 4613658) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl N-(butan-2-ylideneamino)carbamate.

Molecular Properties

Compound Nameethyl N-(butan-2-ylideneamino)carbamate
PubChem CID4613658
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl N-(butan-2-ylideneamino)carbamate
SMILESCCOC(=O)NN=C(C)CC
InChIInChI=1S/C7H14N2O2/c1-4-6(3)8-9-7(10)11-5-2/h4-5H2,1-3H3,(H,9,10)
InChIKeyQFUUKJRPISZCNH-UHFFFAOYSA-N
XLogP1.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.52
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 ethyl N-(butan-2-ylideneamino)carbamate?
The IUPAC name of ethyl N-(butan-2-ylideneamino)carbamate (CID 4613658) is ethyl N-(butan-2-ylideneamino)carbamate.
What is the SMILES notation for ethyl N-(butan-2-ylideneamino)carbamate?
The canonical SMILES for ethyl N-(butan-2-ylideneamino)carbamate is CCOC(=O)NN=C(C)CC.
What is the InChIKey of ethyl N-(butan-2-ylideneamino)carbamate?
The InChIKey is QFUUKJRPISZCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-6(3)8-9-7(10)11-5-2/h4-5H2,1-3H3,(H,9,10).
What are the key properties of ethyl N-(butan-2-ylideneamino)carbamate?
ethyl N-(butan-2-ylideneamino)carbamate has a molecular weight of 158.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(butan-2-ylideneamino)carbamate is sourced from PubChem (CID 4613658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).