2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine

C15H19N — CID 170049119

IUPAC2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine
SMILESC=C1C=CC=C(/C=C\C=C/CC/C=C\C)N1
InChIInChI=1S/C15H19N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14(2)16-15/h3-4,7-13,16H,2,5-6H2,1H3/b4-3-,8-7-,12-9-
InChIKeyQONLPCCTCFQSRN-DSFIMQIWSA-N
MW213.32 g/mol
LogP4.01
Rot. Bonds5

About 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine

2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine (PubChem CID 170049119) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine.

Molecular Properties

Compound Name2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine
PubChem CID170049119
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine
SMILESC=C1C=CC=C(/C=C\C=C/CC/C=C\C)N1
InChIInChI=1S/C15H19N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14(2)16-15/h3-4,7-13,16H,2,5-6H2,1H3/b4-3-,8-7-,12-9-
InChIKeyQONLPCCTCFQSRN-DSFIMQIWSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine?
The IUPAC name of 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine (CID 170049119) is 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine.
What is the SMILES notation for 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine?
The canonical SMILES for 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine is C=C1C=CC=C(/C=C\C=C/CC/C=C\C)N1.
What is the InChIKey of 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine?
The InChIKey is QONLPCCTCFQSRN-DSFIMQIWSA-N. The full InChI is InChI=1S/C15H19N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14(2)16-15/h3-4,7-13,16H,2,5-6H2,1H3/b4-3-,8-7-,12-9-.
What are the key properties of 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine?
2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine has a molecular weight of 213.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine is sourced from PubChem (CID 170049119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).