(E)-N-ethyl-2-methylnon-2-enamide

C12H23NO — CID 87136870

IUPAC(E)-N-ethyl-2-methylnon-2-enamide
SMILESCCCCCC/C=C(\C)C(=O)NCC
InChIInChI=1S/C12H23NO/c1-4-6-7-8-9-10-11(3)12(14)13-5-2/h10H,4-9H2,1-3H3,(H,13,14)/b11-10+
InChIKeyWPMPUCBMSIBPRE-ZHACJKMWSA-N
MW197.32 g/mol
LogP3.04
Rot. Bonds7

About (E)-N-ethyl-2-methylnon-2-enamide

(E)-N-ethyl-2-methylnon-2-enamide (PubChem CID 87136870) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N-ethyl-2-methylnon-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-2-methylnon-2-enamide
PubChem CID87136870
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N-ethyl-2-methylnon-2-enamide
SMILESCCCCCC/C=C(\C)C(=O)NCC
InChIInChI=1S/C12H23NO/c1-4-6-7-8-9-10-11(3)12(14)13-5-2/h10H,4-9H2,1-3H3,(H,13,14)/b11-10+
InChIKeyWPMPUCBMSIBPRE-ZHACJKMWSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-butyl-2-methyldec-2-enamide
CID 140554032
N,2-dimethylundec-2-enamide
CID 4562078
methyl 2-methyloct-2-enoate
CID 71403822
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide
CID 174683801
hydroxycarbamoyl 2-methyldodec-2-enoate
CID 173146051
(Z)-3-methylnon-3-en-2-one
CID 98567788
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-methylnon-2-enamide?
The IUPAC name of (E)-N-ethyl-2-methylnon-2-enamide (CID 87136870) is (E)-N-ethyl-2-methylnon-2-enamide.
What is the SMILES notation for (E)-N-ethyl-2-methylnon-2-enamide?
The canonical SMILES for (E)-N-ethyl-2-methylnon-2-enamide is CCCCCC/C=C(\C)C(=O)NCC.
What is the InChIKey of (E)-N-ethyl-2-methylnon-2-enamide?
The InChIKey is WPMPUCBMSIBPRE-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-7-8-9-10-11(3)12(14)13-5-2/h10H,4-9H2,1-3H3,(H,13,14)/b11-10+.
What are the key properties of (E)-N-ethyl-2-methylnon-2-enamide?
(E)-N-ethyl-2-methylnon-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-methylnon-2-enamide is sourced from PubChem (CID 87136870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).