(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole

C12H15N — CID 143386629

IUPAC(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESc1ccc2c(c1)NC1CCCC[C@H]21
InChIInChI=1S/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-,12?/m1/s1
InChIKeyHYKFPJAARRNNRX-RWANSRKNSA-N
MW173.26 g/mol
LogP3.14
Rot. Bonds

About (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole

(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole (PubChem CID 143386629) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole.

Molecular Properties

Compound Name(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
PubChem CID143386629
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESc1ccc2c(c1)NC1CCCC[C@H]21
InChIInChI=1S/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-,12?/m1/s1
InChIKeyHYKFPJAARRNNRX-RWANSRKNSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
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1,3,4,4a,5,9b-hexahydrothiopyrano[4,3-b]indole
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(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
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7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
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Frequently Asked Questions

What is the IUPAC name of (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The IUPAC name of (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole (CID 143386629) is (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole.
What is the SMILES notation for (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The canonical SMILES for (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole is c1ccc2c(c1)NC1CCCC[C@H]21.
What is the InChIKey of (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The InChIKey is HYKFPJAARRNNRX-RWANSRKNSA-N. The full InChI is InChI=1S/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-,12?/m1/s1.
What are the key properties of (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole has a molecular weight of 173.26 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole is sourced from PubChem (CID 143386629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).