2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole

C16H19N — CID 141205013

IUPAC2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole
SMILESC1=CC2=CC3=C4CCCCC4CCC3CC2=N1
InChIInChI=1S/C16H19N/c1-2-4-14-11(3-1)5-6-12-10-16-13(7-8-17-16)9-15(12)14/h7-9,11-12H,1-6,10H2
InChIKeyHKTIWQBCANIFHQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.18
Rot. Bonds

About 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole

2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole (PubChem CID 141205013) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole.

Molecular Properties

Compound Name2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole
PubChem CID141205013
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole
SMILESC1=CC2=CC3=C4CCCCC4CCC3CC2=N1
InChIInChI=1S/C16H19N/c1-2-4-14-11(3-1)5-6-12-10-16-13(7-8-17-16)9-15(12)14/h7-9,11-12H,1-6,10H2
InChIKeyHKTIWQBCANIFHQ-UHFFFAOYSA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 156544819
4-(3,5-Dimethylcyclohex-3-en-1-yl)-7-fluoro-4a,5-dihydrobenzo[f]isoquinoline
CID 166812448
3-But-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
CID 166881052
4-[(1E)-5,7-dimethylcycloocta-1,5,7-trien-1-yl]-7-fluoro-10a,10b-dihydrobenzo[f]isoquinoline
CID 173853047
1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
CID 20621283
2-(Cyclohexylmethyl)azocine
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methylcyclohexane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57831671
Iridium;1-phenyl-4a,8a-dihydroisoquinoline
CID 58090503
6-methyl-6,7-dihydro-5H-indole
CID 69703521
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CID 70832201

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole?
The IUPAC name of 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole (CID 141205013) is 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole.
What is the SMILES notation for 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole?
The canonical SMILES for 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole is C1=CC2=CC3=C4CCCCC4CCC3CC2=N1.
What is the InChIKey of 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole?
The InChIKey is HKTIWQBCANIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-4-14-11(3-1)5-6-12-10-16-13(7-8-17-16)9-15(12)14/h7-9,11-12H,1-6,10H2.
What are the key properties of 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole?
2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole has a molecular weight of 225.33 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,6a,7-octahydro-1H-naphtho[1,2-f]indole is sourced from PubChem (CID 141205013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).