[(E)-butan-2-ylideneamino] carbamate

C5H10N2O2 — CID 55289974

IUPAC[(E)-butan-2-ylideneamino] carbamate
SMILESCC/C(C)=N/OC(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-4(2)7-9-5(6)8/h3H2,1-2H3,(H2,6,8)/b7-4+
InChIKeyUAWQMCPBZDCASH-QPJJXVBHSA-N
MW130.15 g/mol
LogP0.87
Rot. Bonds2

About [(E)-butan-2-ylideneamino] carbamate

[(E)-butan-2-ylideneamino] carbamate (PubChem CID 55289974) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is [(E)-butan-2-ylideneamino] carbamate.

Molecular Properties

Compound Name[(E)-butan-2-ylideneamino] carbamate
PubChem CID55289974
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name[(E)-butan-2-ylideneamino] carbamate
SMILESCC/C(C)=N/OC(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-4(2)7-9-5(6)8/h3H2,1-2H3,(H2,6,8)/b7-4+
InChIKeyUAWQMCPBZDCASH-QPJJXVBHSA-N
XLogP0.87
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(E)-butan-2-ylideneamino] carbamate?
The IUPAC name of [(E)-butan-2-ylideneamino] carbamate (CID 55289974) is [(E)-butan-2-ylideneamino] carbamate.
What is the SMILES notation for [(E)-butan-2-ylideneamino] carbamate?
The canonical SMILES for [(E)-butan-2-ylideneamino] carbamate is CC/C(C)=N/OC(N)=O.
What is the InChIKey of [(E)-butan-2-ylideneamino] carbamate?
The InChIKey is UAWQMCPBZDCASH-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-4(2)7-9-5(6)8/h3H2,1-2H3,(H2,6,8)/b7-4+.
What are the key properties of [(E)-butan-2-ylideneamino] carbamate?
[(E)-butan-2-ylideneamino] carbamate has a molecular weight of 130.15 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-butan-2-ylideneamino] carbamate is sourced from PubChem (CID 55289974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).