(5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine

C11H9ClN2 — CID 123523890

IUPAC(5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine
SMILES[H]/N=C/C1=C=CC=C(Cl)C(/C=N/[H])=C=CC1
InChIInChI=1S/C11H9ClN2/c12-11-6-2-4-9(7-13)3-1-5-10(11)8-14/h1-2,6-8,13-14H,3H2/b11-6?,13-7+,14-8+
InChIKeyNPKUQMWTWIHZED-HIXRQRMCSA-N
MW204.66 g/mol
LogP2.97
Rot. Bonds2

About (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine

(5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine (PubChem CID 123523890) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine.

Molecular Properties

Compound Name(5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine
PubChem CID123523890
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name(5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine
SMILES[H]/N=C/C1=C=CC=C(Cl)C(/C=N/[H])=C=CC1
InChIInChI=1S/C11H9ClN2/c12-11-6-2-4-9(7-13)3-1-5-10(11)8-14/h1-2,6-8,13-14H,3H2/b11-6?,13-7+,14-8+
InChIKeyNPKUQMWTWIHZED-HIXRQRMCSA-N
XLogP2.97
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-chloro-2-methylidenepent-3-en-1-imine
CID 118638648
(2Z,4Z)-4-chloro-3-methylocta-2,4-dien-1-imine
CID 155443755
(4-Chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 163518027
(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine
CID 171810963
(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
CID 177317779

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine?
The IUPAC name of (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine (CID 123523890) is (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine.
What is the SMILES notation for (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine?
The canonical SMILES for (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine is [H]/N=C/C1=C=CC=C(Cl)C(/C=N/[H])=C=CC1.
What is the InChIKey of (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine?
The InChIKey is NPKUQMWTWIHZED-HIXRQRMCSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-11-6-2-4-9(7-13)3-1-5-10(11)8-14/h1-2,6-8,13-14H,3H2/b11-6?,13-7+,14-8+.
What are the key properties of (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine?
(5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine has a molecular weight of 204.66 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine is sourced from PubChem (CID 123523890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).