(butan-2-ylideneamino) carbamate

C5H10N2O2 — CID 54343836

IUPAC(butan-2-ylideneamino) carbamate
SMILESCCC(C)=NOC(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-4(2)7-9-5(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyUAWQMCPBZDCASH-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.87
Rot. Bonds2

About (butan-2-ylideneamino) carbamate

(butan-2-ylideneamino) carbamate (PubChem CID 54343836) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (butan-2-ylideneamino) carbamate.

Molecular Properties

Compound Name(butan-2-ylideneamino) carbamate
PubChem CID54343836
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(butan-2-ylideneamino) carbamate
SMILESCCC(C)=NOC(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-4(2)7-9-5(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyUAWQMCPBZDCASH-UHFFFAOYSA-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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Related Compounds

[(E)-butan-2-ylideneamino] carbonochloridate
CID 11051834
O-(butan-2-ylideneamino)hydroxylamine
CID 141086083
[(E)-2-methylpentan-3-ylideneamino] carbamate
CID 172920037
(butan-2-ylideneamino) N-[6-[[(E)-butan-2-ylideneamino]oxycarbonylamino]hexyl]carbamate
CID 153406535
(1-chloroethylideneamino) carbamate
CID 3077605
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
[(E)-butan-2-ylideneamino] ethanimidate
CID 11587574
CID 23534073
CID 23534073
[(butan-2-ylideneamino)oxycarbonylamino]methyl 2-methylbutanoate
CID 122533665
(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine
CID 143053134
N-silyloxybutan-2-imine
CID 123155500
N-ethoxybutan-2-imine
CID 54202913

Frequently Asked Questions

What is the IUPAC name of (butan-2-ylideneamino) carbamate?
The IUPAC name of (butan-2-ylideneamino) carbamate (CID 54343836) is (butan-2-ylideneamino) carbamate.
What is the SMILES notation for (butan-2-ylideneamino) carbamate?
The canonical SMILES for (butan-2-ylideneamino) carbamate is CCC(C)=NOC(N)=O.
What is the InChIKey of (butan-2-ylideneamino) carbamate?
The InChIKey is UAWQMCPBZDCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-4(2)7-9-5(6)8/h3H2,1-2H3,(H2,6,8).
What are the key properties of (butan-2-ylideneamino) carbamate?
(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 (butan-2-ylideneamino) carbamate is sourced from PubChem (CID 54343836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).