7a,8-dihydrocyclopropa[i]quinoline;ethane

C12H15N — CID 142834020

IUPAC7a,8-dihydrocyclopropa[i]quinoline;ethane
SMILESC1=CC2=CC=CC3CC23N=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-3-8-5-2-6-11-10(8)7-9(10)4-1;1-2/h1-6,9H,7H2;1-2H3
InChIKeyKCFTWWIBMBARHT-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.91
Rot. Bonds

About 7a,8-dihydrocyclopropa[i]quinoline;ethane

7a,8-dihydrocyclopropa[i]quinoline;ethane (PubChem CID 142834020) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 7a,8-dihydrocyclopropa[i]quinoline;ethane.

Molecular Properties

Compound Name7a,8-dihydrocyclopropa[i]quinoline;ethane
PubChem CID142834020
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name7a,8-dihydrocyclopropa[i]quinoline;ethane
SMILESC1=CC2=CC=CC3CC23N=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-3-8-5-2-6-11-10(8)7-9(10)4-1;1-2/h1-6,9H,7H2;1-2H3
InChIKeyKCFTWWIBMBARHT-UHFFFAOYSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
4-Methyl-4a,8a-dihydroquinoline
CID 67593927
(8aS)-4-methyl-4a,8a-dihydroquinoline
CID 67599998
2-Azatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
CID 88715149
10a,10b-Dihydrobenzo[h]quinoline
CID 88858017
8-Propan-2-yl-6,7-dihydroquinoline
CID 89144428
8-Methyl-8,8a-dihydroquinoline
CID 89371528
5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine
CID 90839723
7,8a-dimethyl-8H-quinoline
CID 90990681
(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline
CID 118258601

Frequently Asked Questions

What is the IUPAC name of 7a,8-dihydrocyclopropa[i]quinoline;ethane?
The IUPAC name of 7a,8-dihydrocyclopropa[i]quinoline;ethane (CID 142834020) is 7a,8-dihydrocyclopropa[i]quinoline;ethane.
What is the SMILES notation for 7a,8-dihydrocyclopropa[i]quinoline;ethane?
The canonical SMILES for 7a,8-dihydrocyclopropa[i]quinoline;ethane is C1=CC2=CC=CC3CC23N=C1.CC.
What is the InChIKey of 7a,8-dihydrocyclopropa[i]quinoline;ethane?
The InChIKey is KCFTWWIBMBARHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H6/c1-3-8-5-2-6-11-10(8)7-9(10)4-1;1-2/h1-6,9H,7H2;1-2H3.
What are the key properties of 7a,8-dihydrocyclopropa[i]quinoline;ethane?
7a,8-dihydrocyclopropa[i]quinoline;ethane has a molecular weight of 173.26 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a,8-dihydrocyclopropa[i]quinoline;ethane is sourced from PubChem (CID 142834020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).