(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline

C12H15N — CID 150728681

IUPAC(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline
SMILESCC1(C)[C@@H]2CCc3cccnc3[C@@H]21
InChIInChI=1S/C12H15N/c1-12(2)9-6-5-8-4-3-7-13-11(8)10(9)12/h3-4,7,9-10H,5-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyJRJKJSNKEHBQNQ-NXEZZACHSA-N
MW173.26 g/mol
LogP2.77
Rot. Bonds

About (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline

(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline (PubChem CID 150728681) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline.

Molecular Properties

Compound Name(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline
PubChem CID150728681
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline
SMILESCC1(C)[C@@H]2CCc3cccnc3[C@@H]21
InChIInChI=1S/C12H15N/c1-12(2)9-6-5-8-4-3-7-13-11(8)10(9)12/h3-4,7,9-10H,5-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyJRJKJSNKEHBQNQ-NXEZZACHSA-N
XLogP2.77
TPSA12.89 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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline with MolForge

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4,4-dimethylcyclohexan-1-amine
CID 79745639
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
7-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146551698
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-ol
CID 79739276
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,2-dimethylcyclopropyl)methanamine
CID 107004734
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79745794
7-(2-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748241
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylcyclohexyl)methanamine
CID 106830346
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504

Frequently Asked Questions

What is the IUPAC name of (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline?
The IUPAC name of (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline (CID 150728681) is (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline.
What is the SMILES notation for (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline?
The canonical SMILES for (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline is CC1(C)[C@@H]2CCc3cccnc3[C@@H]21.
What is the InChIKey of (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline?
The InChIKey is JRJKJSNKEHBQNQ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H15N/c1-12(2)9-6-5-8-4-3-7-13-11(8)10(9)12/h3-4,7,9-10H,5-6H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline?
(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline has a molecular weight of 173.26 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline is sourced from PubChem (CID 150728681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).