[(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate

C10H18N2O2 — CID 43827566

IUPAC[(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate
SMILESC/C(=N\OC(=O)NC(C)(C)C)C1CC1
InChIInChI=1S/C10H18N2O2/c1-7(8-5-6-8)12-14-9(13)11-10(2,3)4/h8H,5-6H2,1-4H3,(H,11,13)/b12-7+
InChIKeyFQTAFLMQBFNOIC-KPKJPENVSA-N
MW198.27 g/mol
LogP2.30
Rot. Bonds2

About [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate

[(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate (PubChem CID 43827566) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate
PubChem CID43827566
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate
SMILESC/C(=N\OC(=O)NC(C)(C)C)C1CC1
InChIInChI=1S/C10H18N2O2/c1-7(8-5-6-8)12-14-9(13)11-10(2,3)4/h8H,5-6H2,1-4H3,(H,11,13)/b12-7+
InChIKeyFQTAFLMQBFNOIC-KPKJPENVSA-N
XLogP2.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.30
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)-1-cyclopropylethylideneamino] N-tert-butylcarbamate?
The IUPAC name of [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate (CID 43827566) is [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate.
What is the SMILES notation for [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate?
The canonical SMILES for [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate is C/C(=N\OC(=O)NC(C)(C)C)C1CC1.
What is the InChIKey of [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate?
The InChIKey is FQTAFLMQBFNOIC-KPKJPENVSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(8-5-6-8)12-14-9(13)11-10(2,3)4/h8H,5-6H2,1-4H3,(H,11,13)/b12-7+.
What are the key properties of [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate?
[(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate has a molecular weight of 198.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyclopropylethylideneamino] N-tert-butylcarbamate is sourced from PubChem (CID 43827566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).