10-aminoundec-1-en-6-one

C11H21NO — CID 116610182

IUPAC10-aminoundec-1-en-6-one
SMILESC=CCCCC(=O)CCCC(C)N
InChIInChI=1S/C11H21NO/c1-3-4-5-8-11(13)9-6-7-10(2)12/h3,10H,1,4-9,12H2,2H3
InChIKeySPWQQMYPQUUEDA-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds8

About 10-aminoundec-1-en-6-one

10-aminoundec-1-en-6-one (PubChem CID 116610182) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 10-aminoundec-1-en-6-one.

Molecular Properties

Compound Name10-aminoundec-1-en-6-one
PubChem CID116610182
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name10-aminoundec-1-en-6-one
SMILESC=CCCCC(=O)CCCC(C)N
InChIInChI=1S/C11H21NO/c1-3-4-5-8-11(13)9-6-7-10(2)12/h3,10H,1,4-9,12H2,2H3
InChIKeySPWQQMYPQUUEDA-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-aminocyclotridec-4-en-1-one
CID 23513353
Aminocyclotridec-11-en-2-one
CID 57144930
(4Z)-2-aminocyclotridec-4-en-1-one
CID 69929408
9-Aminonon-1-en-4-one
CID 87785119
(3S)-3-aminoundec-10-en-2-one
CID 88563117
4-Aminodeca-1,9-diene-3,8-dione
CID 88648010
5-Aminodec-1-en-3-one
CID 88766851
5-Aminonon-1-en-4-one
CID 116556604
5-Aminooct-7-en-4-one
CID 116606849
4-Amino-2-methylnon-8-en-3-one
CID 122414305
4-Aminotetradec-1-en-3-one
CID 123571687
4-(Methylamino)non-8-en-3-one
CID 123655822

Frequently Asked Questions

What is the IUPAC name of 10-aminoundec-1-en-6-one?
The IUPAC name of 10-aminoundec-1-en-6-one (CID 116610182) is 10-aminoundec-1-en-6-one.
What is the SMILES notation for 10-aminoundec-1-en-6-one?
The canonical SMILES for 10-aminoundec-1-en-6-one is C=CCCCC(=O)CCCC(C)N.
What is the InChIKey of 10-aminoundec-1-en-6-one?
The InChIKey is SPWQQMYPQUUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-8-11(13)9-6-7-10(2)12/h3,10H,1,4-9,12H2,2H3.
What are the key properties of 10-aminoundec-1-en-6-one?
10-aminoundec-1-en-6-one has a molecular weight of 183.29 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-aminoundec-1-en-6-one is sourced from PubChem (CID 116610182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).