(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol

C11H12N2O — CID 131862945

IUPAC(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol
SMILESN[C@H]1Cc2c[nH]c3cccc(c23)[C@@H]1O
InChIInChI=1S/C11H12N2O/c12-8-4-6-5-13-9-3-1-2-7(10(6)9)11(8)14/h1-3,5,8,11,13-14H,4,12H2/t8-,11-/m0/s1
InChIKeyVSMDFCGGCXPTHB-KWQFWETISA-N
MW188.23 g/mol
LogP1.08
Rot. Bonds

About (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol

(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol (PubChem CID 131862945) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol.

Molecular Properties

Compound Name(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol
PubChem CID131862945
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol
SMILESN[C@H]1Cc2c[nH]c3cccc(c23)[C@@H]1O
InChIInChI=1S/C11H12N2O/c12-8-4-6-5-13-9-3-1-2-7(10(6)9)11(8)14/h1-3,5,8,11,13-14H,4,12H2/t8-,11-/m0/s1
InChIKeyVSMDFCGGCXPTHB-KWQFWETISA-N
XLogP1.08
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
CID 124707804
(9S,10S)-10-(methylamino)-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-ol
CID 3061865
(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 15780345
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 57294554
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(4R)-5-butyl-4-ethyl-1,3,4,5-tetrahydrobenzo[cd]indole
CID 71016251
10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
CID 13491943
(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 102268620
CID 67851799
CID 67851799
(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol
CID 95241574
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
(4R)-4-ethyl-5-(2-methylbutyl)-1,3,4,5-tetrahydrobenzo[cd]indole
CID 71016242

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol?
The IUPAC name of (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol (CID 131862945) is (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol.
What is the SMILES notation for (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol?
The canonical SMILES for (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol is N[C@H]1Cc2c[nH]c3cccc(c23)[C@@H]1O.
What is the InChIKey of (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol?
The InChIKey is VSMDFCGGCXPTHB-KWQFWETISA-N. The full InChI is InChI=1S/C11H12N2O/c12-8-4-6-5-13-9-3-1-2-7(10(6)9)11(8)14/h1-3,5,8,11,13-14H,4,12H2/t8-,11-/m0/s1.
What are the key properties of (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol?
(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol has a molecular weight of 188.23 g/mol, XLogP of 1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol is sourced from PubChem (CID 131862945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).