[(E)-nonan-2-ylideneamino] acetate

C11H21NO2 — CID 87079098

IUPAC[(E)-nonan-2-ylideneamino] acetate
SMILESCCCCCCC/C(C)=N/OC(C)=O
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-8-9-10(2)12-14-11(3)13/h4-9H2,1-3H3/b12-10+
InChIKeyWNEPKZKFRFTODC-ZRDIBKRKSA-N
MW199.29 g/mol
LogP3.29
Rot. Bonds7

About [(E)-nonan-2-ylideneamino] acetate

[(E)-nonan-2-ylideneamino] acetate (PubChem CID 87079098) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [(E)-nonan-2-ylideneamino] acetate.

Molecular Properties

Compound Name[(E)-nonan-2-ylideneamino] acetate
PubChem CID87079098
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[(E)-nonan-2-ylideneamino] acetate
SMILESCCCCCCC/C(C)=N/OC(C)=O
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-8-9-10(2)12-14-11(3)13/h4-9H2,1-3H3/b12-10+
InChIKeyWNEPKZKFRFTODC-ZRDIBKRKSA-N
XLogP3.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(octan-2-ylideneamino) hexanoate
CID 142734724
2-(heptan-2-ylideneamino)oxyacetic acid
CID 80558488
(nonylideneamino) acetate
CID 90921224
[(E)-[amino-(dioctylamino)methylidene]amino] acetate
CID 141045038
N-tridecan-2-ylidenehydroxylamine
CID 74054313
N-tetradecan-2-ylidenehydroxylamine
CID 140688122
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
nonatriacontan-2-one
CID 141365496
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
tetradecanamide
CID 175692014
decan-2-one
CID 12741

Frequently Asked Questions

What is the IUPAC name of [(E)-nonan-2-ylideneamino] acetate?
The IUPAC name of [(E)-nonan-2-ylideneamino] acetate (CID 87079098) is [(E)-nonan-2-ylideneamino] acetate.
What is the SMILES notation for [(E)-nonan-2-ylideneamino] acetate?
The canonical SMILES for [(E)-nonan-2-ylideneamino] acetate is CCCCCCC/C(C)=N/OC(C)=O.
What is the InChIKey of [(E)-nonan-2-ylideneamino] acetate?
The InChIKey is WNEPKZKFRFTODC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-6-7-8-9-10(2)12-14-11(3)13/h4-9H2,1-3H3/b12-10+.
What are the key properties of [(E)-nonan-2-ylideneamino] acetate?
[(E)-nonan-2-ylideneamino] acetate has a molecular weight of 199.29 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-nonan-2-ylideneamino] acetate is sourced from PubChem (CID 87079098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).