(2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide

C15H25NO — CID 146604814

IUPAC(2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide
SMILESC=C/C=C(\C(=O)NC=C)C(C)CCCCCC
InChIInChI=1S/C15H25NO/c1-5-8-9-10-12-13(4)14(11-6-2)15(17)16-7-3/h6-7,11,13H,2-3,5,8-10,12H2,1,4H3,(H,16,17)/b14-11-
InChIKeyRUMQIHCQVWIWMI-KAMYIIQDSA-N
MW235.37 g/mol
LogP3.96
Rot. Bonds9

About (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide

(2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide (PubChem CID 146604814) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide.

Molecular Properties

Compound Name(2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide
PubChem CID146604814
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide
SMILESC=C/C=C(\C(=O)NC=C)C(C)CCCCCC
InChIInChI=1S/C15H25NO/c1-5-8-9-10-12-13(4)14(11-6-2)15(17)16-7-3/h6-7,11,13H,2-3,5,8-10,12H2,1,4H3,(H,16,17)/b14-11-
InChIKeyRUMQIHCQVWIWMI-KAMYIIQDSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.96
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methylnon-1-en-3-one
CID 24974485
N-ethenyldodecanamide
CID 21219286
(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol
CID 167250897
3-methylundecan-2-one
CID 12634600
3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
heptane;2-methylheptadecanoic acid
CID 175511035
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
1-(propan-2-ylamino)octyl prop-2-enoate
CID 23460629
2-(2-hydroxyethylidene)-3-methylnonanamide
CID 173435081

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide?
The IUPAC name of (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide (CID 146604814) is (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide.
What is the SMILES notation for (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide?
The canonical SMILES for (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide is C=C/C=C(\C(=O)NC=C)C(C)CCCCCC.
What is the InChIKey of (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide?
The InChIKey is RUMQIHCQVWIWMI-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-8-9-10-12-13(4)14(11-6-2)15(17)16-7-3/h6-7,11,13H,2-3,5,8-10,12H2,1,4H3,(H,16,17)/b14-11-.
What are the key properties of (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide?
(2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide has a molecular weight of 235.37 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide is sourced from PubChem (CID 146604814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).