nona-2,3,4,5,6,7,8-heptaenenitrile

C9H3N — CID 71426857

IUPACnona-2,3,4,5,6,7,8-heptaenenitrile
SMILESC=C=C=C=C=C=C=CC#N
InChIInChI=1S/C9H3N/c1-2-3-4-5-6-7-8-9-10/h8H,1H2
InChIKeyQLQKWQSXDPPTPO-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.63
Rot. Bonds

About nona-2,3,4,5,6,7,8-heptaenenitrile

nona-2,3,4,5,6,7,8-heptaenenitrile (PubChem CID 71426857) has the molecular formula C9H3N and a molecular weight of 125.13 g/mol. Its IUPAC name is nona-2,3,4,5,6,7,8-heptaenenitrile.

Molecular Properties

Compound Namenona-2,3,4,5,6,7,8-heptaenenitrile
PubChem CID71426857
Molecular FormulaC9H3N
Molecular Weight125.13 g/mol
Exact Mass125.03
IUPAC Namenona-2,3,4,5,6,7,8-heptaenenitrile
SMILESC=C=C=C=C=C=C=CC#N
InChIInChI=1S/C9H3N/c1-2-3-4-5-6-7-8-9-10/h8H,1H2
InChIKeyQLQKWQSXDPPTPO-UHFFFAOYSA-N
XLogP1.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nona-2,3,4,5,6,7,8-heptaenenitrile?
The IUPAC name of nona-2,3,4,5,6,7,8-heptaenenitrile (CID 71426857) is nona-2,3,4,5,6,7,8-heptaenenitrile.
What is the SMILES notation for nona-2,3,4,5,6,7,8-heptaenenitrile?
The canonical SMILES for nona-2,3,4,5,6,7,8-heptaenenitrile is C=C=C=C=C=C=C=CC#N.
What is the InChIKey of nona-2,3,4,5,6,7,8-heptaenenitrile?
The InChIKey is QLQKWQSXDPPTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3N/c1-2-3-4-5-6-7-8-9-10/h8H,1H2.
What are the key properties of nona-2,3,4,5,6,7,8-heptaenenitrile?
nona-2,3,4,5,6,7,8-heptaenenitrile has a molecular weight of 125.13 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,3,4,5,6,7,8-heptaenenitrile is sourced from PubChem (CID 71426857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).