(8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine

C12H13ClN2 — CID 105476911

IUPAC(8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESNCC1CCc2cc3cccc(Cl)c3n21
InChIInChI=1S/C12H13ClN2/c13-11-3-1-2-8-6-9-4-5-10(7-14)15(9)12(8)11/h1-3,6,10H,4-5,7,14H2
InChIKeyYPTQHHRETXJONU-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.74
Rot. Bonds1

About (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine

(8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (PubChem CID 105476911) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.

Molecular Properties

Compound Name(8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
PubChem CID105476911
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name(8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESNCC1CCc2cc3cccc(Cl)c3n21
InChIInChI=1S/C12H13ClN2/c13-11-3-1-2-8-6-9-4-5-10(7-14)15(9)12(8)11/h1-3,6,10H,4-5,7,14H2
InChIKeyYPTQHHRETXJONU-UHFFFAOYSA-N
XLogP2.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The IUPAC name of (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (CID 105476911) is (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.
What is the SMILES notation for (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The canonical SMILES for (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is NCC1CCc2cc3cccc(Cl)c3n21.
What is the InChIKey of (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The InChIKey is YPTQHHRETXJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-11-3-1-2-8-6-9-4-5-10(7-14)15(9)12(8)11/h1-3,6,10H,4-5,7,14H2.
What are the key properties of (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
(8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine has a molecular weight of 220.70 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is sourced from PubChem (CID 105476911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).