(8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol

C12H13ClN2O — CID 10934611

IUPAC(8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol
SMILESCc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3
InChIInChI=1S/C12H13ClN2O/c1-6-4-15-12-9(16)2-8-11(10(6)12)7(3-13)5-14-8/h2,4,7,14-16H,3,5H2,1H3/t7-/m1/s1
InChIKeyUEZYJDITXKYWHK-SSDOTTSWSA-N
MW236.70 g/mol
LogP2.93
Rot. Bonds1

About (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol

(8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol (PubChem CID 10934611) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol.

Molecular Properties

Compound Name(8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol
PubChem CID10934611
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol
SMILESCc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3
InChIInChI=1S/C12H13ClN2O/c1-6-4-15-12-9(16)2-8-11(10(6)12)7(3-13)5-14-8/h2,4,7,14-16H,3,5H2,1H3/t7-/m1/s1
InChIKeyUEZYJDITXKYWHK-SSDOTTSWSA-N
XLogP2.93
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol?
The IUPAC name of (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol (CID 10934611) is (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol.
What is the SMILES notation for (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol?
The canonical SMILES for (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol is Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3.
What is the InChIKey of (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol?
The InChIKey is UEZYJDITXKYWHK-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-6-4-15-12-9(16)2-8-11(10(6)12)7(3-13)5-14-8/h2,4,7,14-16H,3,5H2,1H3/t7-/m1/s1.
What are the key properties of (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol?
(8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol has a molecular weight of 236.70 g/mol, XLogP of 2.93, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(chloromethyl)-1-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-4-ol is sourced from PubChem (CID 10934611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).