3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline

C18H21N — CID 140979488

IUPAC3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline
SMILESC=c1ccc2c(c1)C(C)(C)C(C1C=CCCC1)=CN=2
InChIInChI=1S/C18H21N/c1-13-9-10-17-15(11-13)18(2,3)16(12-19-17)14-7-5-4-6-8-14/h5,7,9-12,14H,1,4,6,8H2,2-3H3
InChIKeyHGJRQIYWVOBJPO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.25
Rot. Bonds1

About 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline

3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline (PubChem CID 140979488) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline
PubChem CID140979488
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline
SMILESC=c1ccc2c(c1)C(C)(C)C(C1C=CCCC1)=CN=2
InChIInChI=1S/C18H21N/c1-13-9-10-17-15(11-13)18(2,3)16(12-19-17)14-7-5-4-6-8-14/h5,7,9-12,14H,1,4,6,8H2,2-3H3
InChIKeyHGJRQIYWVOBJPO-UHFFFAOYSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6-trimethyl-9,10-dihydrobenzo[h]quinoline
CID 144427813
7-Fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 144825847
3-(1-But-1-enyl-2-ethylcyclopropyl)-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
CID 155300341
9-Fluoro-5-methyl-4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)-4a,5,9,10-tetrahydrobenzo[f]isoquinoline
CID 156544819
(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline
CID 156706395
4-(3,5-Dimethylcyclohex-3-en-1-yl)-7-fluoro-4a,5-dihydrobenzo[f]isoquinoline
CID 166812448
4-(3,5-Dimethylcyclohexa-1,3-dien-1-yl)-9-(trifluoromethyl)-6,6a-dihydrobenzo[f]isoquinoline
CID 166812482
N-[(E)-2-fluoroprop-1-enyl]-3,5,5-trimethyl-9-pent-2-enylbicyclo[4.2.2]deca-1(8),6-dien-2-imine
CID 166852242
3-But-2-enyl-6-fluoro-8,8,10,10-tetramethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,9(17),12,14-hexaene
CID 166881024
3-Ethyl-6-fluoro-2,4,5,8,8,10,10-heptamethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,6,9(17),12,14-hexaene
CID 166881050
3-But-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
CID 166881052
10-Butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 167118987

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
The IUPAC name of 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline (CID 140979488) is 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
The canonical SMILES for 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline is C=c1ccc2c(c1)C(C)(C)C(C1C=CCCC1)=CN=2.
What is the InChIKey of 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
The InChIKey is HGJRQIYWVOBJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-9-10-17-15(11-13)18(2,3)16(12-19-17)14-7-5-4-6-8-14/h5,7,9-12,14H,1,4,6,8H2,2-3H3.
What are the key properties of 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline has a molecular weight of 251.37 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline is sourced from PubChem (CID 140979488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).