prop-2-enyl 3-azido-7-oxododec-11-enoate

C15H23N3O3 — CID 11208606

IUPACprop-2-enyl 3-azido-7-oxododec-11-enoate
SMILESC=CCCCC(=O)CCCC(CC(=O)OCC=C)N=[N+]=[N-]
InChIInChI=1S/C15H23N3O3/c1-3-5-6-9-14(19)10-7-8-13(17-18-16)12-15(20)21-11-4-2/h3-4,13H,1-2,5-12H2
InChIKeyLABIOCLKSSOFAP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.88
Rot. Bonds13

About prop-2-enyl 3-azido-7-oxododec-11-enoate

prop-2-enyl 3-azido-7-oxododec-11-enoate (PubChem CID 11208606) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is prop-2-enyl 3-azido-7-oxododec-11-enoate.

Molecular Properties

Compound Nameprop-2-enyl 3-azido-7-oxododec-11-enoate
PubChem CID11208606
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameprop-2-enyl 3-azido-7-oxododec-11-enoate
SMILESC=CCCCC(=O)CCCC(CC(=O)OCC=C)N=[N+]=[N-]
InChIInChI=1S/C15H23N3O3/c1-3-5-6-9-14(19)10-7-8-13(17-18-16)12-15(20)21-11-4-2/h3-4,13H,1-2,5-12H2
InChIKeyLABIOCLKSSOFAP-UHFFFAOYSA-N
XLogP3.88
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-azidonona-1,8-diene
CID 52952538
10-aminoundec-1-en-6-one
CID 116610182
non-8-en-4-one
CID 11137251
bis(prop-2-enyl) propanedioate;deca-1,9-diene
CID 174429542
(1-octadecanoyloxy-3-undec-10-enoyloxypropan-2-yl) 17-azidooctadecanoate
CID 162405943
12-aminododec-1-en-6-one
CID 116551538
tricosa-1,22-dien-12-one
CID 86210796
octa-2,7-dienyl butanoate
CID 154129368
ethyl 3-oxodec-9-enoate
CID 10036105
(3S)-3-azidoocta-1,7-diene
CID 134851828
(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
CID 71377128
3-azido-7-methyloctanoic acid
CID 139971705

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-azido-7-oxododec-11-enoate?
The IUPAC name of prop-2-enyl 3-azido-7-oxododec-11-enoate (CID 11208606) is prop-2-enyl 3-azido-7-oxododec-11-enoate.
What is the SMILES notation for prop-2-enyl 3-azido-7-oxododec-11-enoate?
The canonical SMILES for prop-2-enyl 3-azido-7-oxododec-11-enoate is C=CCCCC(=O)CCCC(CC(=O)OCC=C)N=[N+]=[N-].
What is the InChIKey of prop-2-enyl 3-azido-7-oxododec-11-enoate?
The InChIKey is LABIOCLKSSOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-5-6-9-14(19)10-7-8-13(17-18-16)12-15(20)21-11-4-2/h3-4,13H,1-2,5-12H2.
What are the key properties of prop-2-enyl 3-azido-7-oxododec-11-enoate?
prop-2-enyl 3-azido-7-oxododec-11-enoate has a molecular weight of 293.37 g/mol, XLogP of 3.88, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-azido-7-oxododec-11-enoate is sourced from PubChem (CID 11208606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).