(nonylideneamino) acetate

C11H21NO2 — CID 90921224

IUPAC(nonylideneamino) acetate
SMILESCCCCCCCCC=NOC(C)=O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-10-12-14-11(2)13/h10H,3-9H2,1-2H3
InChIKeyPBBNLCUZMGTGOT-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.29
Rot. Bonds8

About (nonylideneamino) acetate

(nonylideneamino) acetate (PubChem CID 90921224) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (nonylideneamino) acetate.

Molecular Properties

Compound Name(nonylideneamino) acetate
PubChem CID90921224
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(nonylideneamino) acetate
SMILESCCCCCCCCC=NOC(C)=O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-10-12-14-11(2)13/h10H,3-9H2,1-2H3
InChIKeyPBBNLCUZMGTGOT-UHFFFAOYSA-N
XLogP3.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

(hexylideneamino) carbamate
CID 175176534
[(E)-propylideneamino] acetate
CID 87078732
[(E)-nonan-2-ylideneamino] acetate
CID 87079098
N-tridecylidenedodecanamide
CID 87784437
hexylidenecarbamothioic S-acid
CID 91574516
(NE)-N-octylidenehydroxylamine
CID 5385260
acetyl dec-3-enoate
CID 174638238
[(E)-hexadec-1-enyl] acetate
CID 5376351
ethaneperoxoic acid;octane
CID 87879495
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
acetic acid;(E)-tetradec-7-ene
CID 174697247
tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465

Frequently Asked Questions

What is the IUPAC name of (nonylideneamino) acetate?
The IUPAC name of (nonylideneamino) acetate (CID 90921224) is (nonylideneamino) acetate.
What is the SMILES notation for (nonylideneamino) acetate?
The canonical SMILES for (nonylideneamino) acetate is CCCCCCCCC=NOC(C)=O.
What is the InChIKey of (nonylideneamino) acetate?
The InChIKey is PBBNLCUZMGTGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-10-12-14-11(2)13/h10H,3-9H2,1-2H3.
What are the key properties of (nonylideneamino) acetate?
(nonylideneamino) acetate has a molecular weight of 199.29 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (nonylideneamino) acetate is sourced from PubChem (CID 90921224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).