9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide

C13H22N2O2 — CID 90775601

IUPAC9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide
SMILESC=C=C(C)NC(=O)CCCC(=O)CCCCN
InChIInChI=1S/C13H22N2O2/c1-3-11(2)15-13(17)9-6-8-12(16)7-4-5-10-14/h1,4-10,14H2,2H3,(H,15,17)
InChIKeyKKUQHLVUJMSKOL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds9

About 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide

9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide (PubChem CID 90775601) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide.

Molecular Properties

Compound Name9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide
PubChem CID90775601
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide
SMILESC=C=C(C)NC(=O)CCCC(=O)CCCCN
InChIInChI=1S/C13H22N2O2/c1-3-11(2)15-13(17)9-6-8-12(16)7-4-5-10-14/h1,4-10,14H2,2H3,(H,15,17)
InChIKeyKKUQHLVUJMSKOL-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
8-aminooctan-4-one
CID 25202394
12-aminododec-1-en-6-one
CID 116551538
27-amino-N-hydroxyheptacosanamide
CID 87684790
12-amino-7-oxododecanoic acid
CID 4206597
14-aminotetradecan-3-one
CID 178176766
14-amino-N-hydroxytetradecanamide
CID 87686192
20-amino-N-hydroxyicosanamide
CID 87686702
1-aminodec-9-yn-5-one
CID 116571970
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663
7-amino-1-hydroxyheptan-2-one
CID 58492627

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide?
The IUPAC name of 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide (CID 90775601) is 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide.
What is the SMILES notation for 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide?
The canonical SMILES for 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide is C=C=C(C)NC(=O)CCCC(=O)CCCCN.
What is the InChIKey of 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide?
The InChIKey is KKUQHLVUJMSKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-11(2)15-13(17)9-6-8-12(16)7-4-5-10-14/h1,4-10,14H2,2H3,(H,15,17).
What are the key properties of 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide?
9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide has a molecular weight of 238.33 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-buta-2,3-dien-2-yl-5-oxononanamide is sourced from PubChem (CID 90775601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).