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

C13H16N2 — CID 105453084

IUPAC(7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESCc1ccc2cc3n(c2c1)C(CN)CC3
InChIInChI=1S/C13H16N2/c1-9-2-3-10-7-11-4-5-12(8-14)15(11)13(10)6-9/h2-3,6-7,12H,4-5,8,14H2,1H3
InChIKeyUSZFEYJUPAAVJA-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.40
Rot. Bonds1

About (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine

(7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (PubChem CID 105453084) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.

Molecular Properties

Compound Name(7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
PubChem CID105453084
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESCc1ccc2cc3n(c2c1)C(CN)CC3
InChIInChI=1S/C13H16N2/c1-9-2-3-10-7-11-4-5-12(8-14)15(11)13(10)6-9/h2-3,6-7,12H,4-5,8,14H2,1H3
InChIKeyUSZFEYJUPAAVJA-UHFFFAOYSA-N
XLogP2.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The IUPAC name of (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (CID 105453084) is (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.
What is the SMILES notation for (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The canonical SMILES for (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is Cc1ccc2cc3n(c2c1)C(CN)CC3.
What is the InChIKey of (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The InChIKey is USZFEYJUPAAVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-2-3-10-7-11-4-5-12(8-14)15(11)13(10)6-9/h2-3,6-7,12H,4-5,8,14H2,1H3.
What are the key properties of (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
(7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine has a molecular weight of 200.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is sourced from PubChem (CID 105453084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).