methyl 10-formamidodec-9-enoate

C12H21NO3 — CID 141206302

IUPACmethyl 10-formamidodec-9-enoate
SMILESCOC(=O)CCCCCCCC=CNC=O
InChIInChI=1S/C12H21NO3/c1-16-12(15)9-7-5-3-2-4-6-8-10-13-11-14/h8,10-11H,2-7,9H2,1H3,(H,13,14)
InChIKeyBABTXZDOGQETQP-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.15
Rot. Bonds10

About methyl 10-formamidodec-9-enoate

methyl 10-formamidodec-9-enoate (PubChem CID 141206302) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 10-formamidodec-9-enoate.

Molecular Properties

Compound Namemethyl 10-formamidodec-9-enoate
PubChem CID141206302
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 10-formamidodec-9-enoate
SMILESCOC(=O)CCCCCCCC=CNC=O
InChIInChI=1S/C12H21NO3/c1-16-12(15)9-7-5-3-2-4-6-8-10-13-11-14/h8,10-11H,2-7,9H2,1H3,(H,13,14)
InChIKeyBABTXZDOGQETQP-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 10-formamidodec-9-enoate?
The IUPAC name of methyl 10-formamidodec-9-enoate (CID 141206302) is methyl 10-formamidodec-9-enoate.
What is the SMILES notation for methyl 10-formamidodec-9-enoate?
The canonical SMILES for methyl 10-formamidodec-9-enoate is COC(=O)CCCCCCCC=CNC=O.
What is the InChIKey of methyl 10-formamidodec-9-enoate?
The InChIKey is BABTXZDOGQETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-12(15)9-7-5-3-2-4-6-8-10-13-11-14/h8,10-11H,2-7,9H2,1H3,(H,13,14).
What are the key properties of methyl 10-formamidodec-9-enoate?
methyl 10-formamidodec-9-enoate has a molecular weight of 227.30 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-formamidodec-9-enoate is sourced from PubChem (CID 141206302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).