(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete

C10H11N — CID 93492521

IUPAC(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
SMILESc1ccc2c(c1)C[C@@H]1CN[C@H]21
InChIInChI=1S/C10H11N/c1-2-4-9-7(3-1)5-8-6-11-10(8)9/h1-4,8,10-11H,5-6H2/t8-,10+/m1/s1
InChIKeySOMFMLLQFUJZLJ-SCZZXKLOSA-N
MW145.21 g/mol
LogP1.50
Rot. Bonds

About (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete

(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete (PubChem CID 93492521) has the molecular formula C10H11N and a molecular weight of 145.21 g/mol. Its IUPAC name is (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete.

Molecular Properties

Compound Name(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
PubChem CID93492521
Molecular FormulaC10H11N
Molecular Weight145.21 g/mol
Exact Mass145.09
IUPAC Name(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
SMILESc1ccc2c(c1)C[C@@H]1CN[C@H]21
InChIInChI=1S/C10H11N/c1-2-4-9-7(3-1)5-8-6-11-10(8)9/h1-4,8,10-11H,5-6H2/t8-,10+/m1/s1
InChIKeySOMFMLLQFUJZLJ-SCZZXKLOSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
CID 83261375
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
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1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
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1-(4-phenyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindol-3-yl)ethanone
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CID 82598844
CID 59694666
CID 59694666
(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
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2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine
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Frequently Asked Questions

What is the IUPAC name of (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete?
The IUPAC name of (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete (CID 93492521) is (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete.
What is the SMILES notation for (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete?
The canonical SMILES for (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete is c1ccc2c(c1)C[C@@H]1CN[C@H]21.
What is the InChIKey of (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete?
The InChIKey is SOMFMLLQFUJZLJ-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H11N/c1-2-4-9-7(3-1)5-8-6-11-10(8)9/h1-4,8,10-11H,5-6H2/t8-,10+/m1/s1.
What are the key properties of (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete?
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete has a molecular weight of 145.21 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete is sourced from PubChem (CID 93492521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).