(1E)-2-azidocyclohexadecene-1-carbaldehyde

C17H29N3O — CID 102182255

IUPAC(1E)-2-azidocyclohexadecene-1-carbaldehyde
SMILES[N-]=[N+]=N/C1=C(/C=O)CCCCCCCCCCCCCC1
InChIInChI=1S/C17H29N3O/c18-20-19-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(17)15-21/h15H,1-14H2/b17-16+
InChIKeyYGENDGHRLCHGRO-WUKNDPDISA-N
MW291.44 g/mol
LogP6.22
Rot. Bonds2

About (1E)-2-azidocyclohexadecene-1-carbaldehyde

(1E)-2-azidocyclohexadecene-1-carbaldehyde (PubChem CID 102182255) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (1E)-2-azidocyclohexadecene-1-carbaldehyde.

Molecular Properties

Compound Name(1E)-2-azidocyclohexadecene-1-carbaldehyde
PubChem CID102182255
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(1E)-2-azidocyclohexadecene-1-carbaldehyde
SMILES[N-]=[N+]=N/C1=C(/C=O)CCCCCCCCCCCCCC1
InChIInChI=1S/C17H29N3O/c18-20-19-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(17)15-21/h15H,1-14H2/b17-16+
InChIKeyYGENDGHRLCHGRO-WUKNDPDISA-N
XLogP6.22
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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2-methoxycycloheptene-1-carbaldehyde
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2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde
CID 102254884
ethane;N-(2-ethenylcyclohepten-1-yl)methanimine
CID 143180659
2-azido-3,4,5,6-tetrafluorobenzaldehyde
CID 54024165
CID 175806495
CID 175806495
2-(3-oxobutan-2-yl)cycloheptene-1-carbaldehyde
CID 12764656
CID 171395654
CID 171395654
4-azido-2-hydroxybenzaldehyde
CID 14543957
2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
CID 141417454
2-trimethylstannylcyclopentene-1-carbaldehyde
CID 15370367
4-azido-3,5-dimethylbenzaldehyde
CID 151104888

Frequently Asked Questions

What is the IUPAC name of (1E)-2-azidocyclohexadecene-1-carbaldehyde?
The IUPAC name of (1E)-2-azidocyclohexadecene-1-carbaldehyde (CID 102182255) is (1E)-2-azidocyclohexadecene-1-carbaldehyde.
What is the SMILES notation for (1E)-2-azidocyclohexadecene-1-carbaldehyde?
The canonical SMILES for (1E)-2-azidocyclohexadecene-1-carbaldehyde is [N-]=[N+]=N/C1=C(/C=O)CCCCCCCCCCCCCC1.
What is the InChIKey of (1E)-2-azidocyclohexadecene-1-carbaldehyde?
The InChIKey is YGENDGHRLCHGRO-WUKNDPDISA-N. The full InChI is InChI=1S/C17H29N3O/c18-20-19-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(17)15-21/h15H,1-14H2/b17-16+.
What are the key properties of (1E)-2-azidocyclohexadecene-1-carbaldehyde?
(1E)-2-azidocyclohexadecene-1-carbaldehyde has a molecular weight of 291.44 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-azidocyclohexadecene-1-carbaldehyde is sourced from PubChem (CID 102182255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).