5-(2-aminoprop-2-enyl)undecan-6-one

C14H27NO — CID 142070822

IUPAC5-(2-aminoprop-2-enyl)undecan-6-one
SMILESC=C(N)CC(CCCC)C(=O)CCCCC
InChIInChI=1S/C14H27NO/c1-4-6-8-10-14(16)13(9-7-5-2)11-12(3)15/h13H,3-11,15H2,1-2H3
InChIKeyJNBXJPAZULCXHO-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.80
Rot. Bonds10

About 5-(2-aminoprop-2-enyl)undecan-6-one

5-(2-aminoprop-2-enyl)undecan-6-one (PubChem CID 142070822) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-(2-aminoprop-2-enyl)undecan-6-one.

Molecular Properties

Compound Name5-(2-aminoprop-2-enyl)undecan-6-one
PubChem CID142070822
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-(2-aminoprop-2-enyl)undecan-6-one
SMILESC=C(N)CC(CCCC)C(=O)CCCCC
InChIInChI=1S/C14H27NO/c1-4-6-8-10-14(16)13(9-7-5-2)11-12(3)15/h13H,3-11,15H2,1-2H3
InChIKeyJNBXJPAZULCXHO-UHFFFAOYSA-N
XLogP3.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoprop-2-enyl)undecan-6-one?
The IUPAC name of 5-(2-aminoprop-2-enyl)undecan-6-one (CID 142070822) is 5-(2-aminoprop-2-enyl)undecan-6-one.
What is the SMILES notation for 5-(2-aminoprop-2-enyl)undecan-6-one?
The canonical SMILES for 5-(2-aminoprop-2-enyl)undecan-6-one is C=C(N)CC(CCCC)C(=O)CCCCC.
What is the InChIKey of 5-(2-aminoprop-2-enyl)undecan-6-one?
The InChIKey is JNBXJPAZULCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-8-10-14(16)13(9-7-5-2)11-12(3)15/h13H,3-11,15H2,1-2H3.
What are the key properties of 5-(2-aminoprop-2-enyl)undecan-6-one?
5-(2-aminoprop-2-enyl)undecan-6-one has a molecular weight of 225.38 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoprop-2-enyl)undecan-6-one is sourced from PubChem (CID 142070822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).