4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine

C24H24ClN — CID 11726130

IUPAC4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H24ClN/c1-16(2)24-20-7-5-4-6-18(20)14-22(17-10-12-26(3)13-11-17)23-15-19(25)8-9-21(23)24/h4-10,14-15H,11-13H2,1-3H3
InChIKeyIAOUVQRCRUKJNM-UHFFFAOYSA-N
MW361.92 g/mol
LogP6.30
Rot. Bonds1

About 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine

4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 11726130) has the molecular formula C24H24ClN and a molecular weight of 361.92 g/mol. Its IUPAC name is 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID11726130
Molecular FormulaC24H24ClN
Molecular Weight361.92 g/mol
Exact Mass361.16
IUPAC Name4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H24ClN/c1-16(2)24-20-7-5-4-6-18(20)14-22(17-10-12-26(3)13-11-17)23-15-19(25)8-9-21(23)24/h4-10,14-15H,11-13H2,1-3H3
InChIKeyIAOUVQRCRUKJNM-UHFFFAOYSA-N
XLogP6.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.92
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 11726130) is 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine is CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is IAOUVQRCRUKJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN/c1-16(2)24-20-7-5-4-6-18(20)14-22(17-10-12-26(3)13-11-17)23-15-19(25)8-9-21(23)24/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 361.92 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11726130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).