8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine

C11H13ClN2 — CID 105462546

IUPAC8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine
SMILESNC1CCC2Cc3cccc(Cl)c3N12
InChIInChI=1S/C11H13ClN2/c12-9-3-1-2-7-6-8-4-5-10(13)14(8)11(7)9/h1-3,8,10H,4-6,13H2
InChIKeyOURNRXAXNSENGQ-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.15
Rot. Bonds

About 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine

8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine (PubChem CID 105462546) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine.

Molecular Properties

Compound Name8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine
PubChem CID105462546
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine
SMILESNC1CCC2Cc3cccc(Cl)c3N12
InChIInChI=1S/C11H13ClN2/c12-9-3-1-2-7-6-8-4-5-10(13)14(8)11(7)9/h1-3,8,10H,4-6,13H2
InChIKeyOURNRXAXNSENGQ-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine?
The IUPAC name of 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine (CID 105462546) is 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine.
What is the SMILES notation for 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine?
The canonical SMILES for 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine is NC1CCC2Cc3cccc(Cl)c3N12.
What is the InChIKey of 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine?
The InChIKey is OURNRXAXNSENGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-9-3-1-2-7-6-8-4-5-10(13)14(8)11(7)9/h1-3,8,10H,4-6,13H2.
What are the key properties of 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine?
8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine has a molecular weight of 208.69 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine is sourced from PubChem (CID 105462546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).