2-ethyl-4,4a-dihydroquinoline

C11H13N — CID 89423862

IUPAC2-ethyl-4,4a-dihydroquinoline
SMILESCCC1=CCC2C=CC=CC2=N1
InChIInChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-6,8-9H,2,7H2,1H3
InChIKeyYGYULHRFSBMSAG-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.87
Rot. Bonds1

About 2-ethyl-4,4a-dihydroquinoline

2-ethyl-4,4a-dihydroquinoline (PubChem CID 89423862) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-4,4a-dihydroquinoline.

Molecular Properties

Compound Name2-ethyl-4,4a-dihydroquinoline
PubChem CID89423862
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-ethyl-4,4a-dihydroquinoline
SMILESCCC1=CCC2C=CC=CC2=N1
InChIInChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-6,8-9H,2,7H2,1H3
InChIKeyYGYULHRFSBMSAG-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline
CID 143910935
2-Methyl-6-(trifluoromethyl)-4,4a-dihydroquinoline
CID 164090413
2-methylsulfanyl-4-propan-2-ylidene-4aH-quinoline
CID 134871671
6-Ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline
CID 143910995
3-Fluoro-1-methyl-4a,8a-dihydroisoquinoline
CID 143939495
1,6-Dimethyl-6,7-dihydroisoquinoline
CID 58717366
2-methyl-9bH-benzo[de]quinoline
CID 58939804
(2E,3Z)-2,3-di(ethylidene)quinoline
CID 59760794
2-Ethyl-4-methyl-4,4a-dihydroquinoline
CID 66608600
(3S)-2,3,6-trimethyl-3,4-dihydropyridine
CID 67991593
N-(6-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohex-2-en-1-imine
CID 68004378
4,4a-Dihydroquinoline
CID 68061639

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4a-dihydroquinoline?
The IUPAC name of 2-ethyl-4,4a-dihydroquinoline (CID 89423862) is 2-ethyl-4,4a-dihydroquinoline.
What is the SMILES notation for 2-ethyl-4,4a-dihydroquinoline?
The canonical SMILES for 2-ethyl-4,4a-dihydroquinoline is CCC1=CCC2C=CC=CC2=N1.
What is the InChIKey of 2-ethyl-4,4a-dihydroquinoline?
The InChIKey is YGYULHRFSBMSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 2-ethyl-4,4a-dihydroquinoline?
2-ethyl-4,4a-dihydroquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4a-dihydroquinoline is sourced from PubChem (CID 89423862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).