1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride

C10H14ClN — CID 67612457

IUPAC1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
SMILESCl.N.c1ccc2c(c1)CC1CC21
InChIInChI=1S/C10H10.ClH.H3N/c1-2-4-9-7(3-1)5-8-6-10(8)9;;/h1-4,8,10H,5-6H2;1H;1H3
InChIKeyZPYVOWVZTHKMRT-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.93
Rot. Bonds

About 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride

1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride (PubChem CID 67612457) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride.

Molecular Properties

Compound Name1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
PubChem CID67612457
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
SMILESCl.N.c1ccc2c(c1)CC1CC21
InChIInChI=1S/C10H10.ClH.H3N/c1-2-4-9-7(3-1)5-8-6-10(8)9;;/h1-4,8,10H,5-6H2;1H;1H3
InChIKeyZPYVOWVZTHKMRT-UHFFFAOYSA-N
XLogP2.93
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 165374450
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
CID 93492521
(4aR,9aR)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridin-1-ium;hydrochloride
CID 86625805
(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride
CID 138399915
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029

Frequently Asked Questions

What is the IUPAC name of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride?
The IUPAC name of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride (CID 67612457) is 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride.
What is the SMILES notation for 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride?
The canonical SMILES for 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride is Cl.N.c1ccc2c(c1)CC1CC21.
What is the InChIKey of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride?
The InChIKey is ZPYVOWVZTHKMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.ClH.H3N/c1-2-4-9-7(3-1)5-8-6-10(8)9;;/h1-4,8,10H,5-6H2;1H;1H3.
What are the key properties of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride?
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride is sourced from PubChem (CID 67612457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).