1H-cyclohepta[b]pyrrol-6-amine

C9H8N2 — CID 118358415

IUPAC1H-cyclohepta[b]pyrrol-6-amine
SMILESNC1=CC=c2[nH]ccc2=C=C1
InChIInChI=1S/C9H8N2/c10-8-2-1-7-5-6-11-9(7)4-3-8/h2-6,11H,10H2
InChIKeyUIGWVLUCJFRHBA-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.41
Rot. Bonds

About 1H-cyclohepta[b]pyrrol-6-amine

1H-cyclohepta[b]pyrrol-6-amine (PubChem CID 118358415) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1H-cyclohepta[b]pyrrol-6-amine.

Molecular Properties

Compound Name1H-cyclohepta[b]pyrrol-6-amine
PubChem CID118358415
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1H-cyclohepta[b]pyrrol-6-amine
SMILESNC1=CC=c2[nH]ccc2=C=C1
InChIInChI=1S/C9H8N2/c10-8-2-1-7-5-6-11-9(7)4-3-8/h2-6,11H,10H2
InChIKeyUIGWVLUCJFRHBA-UHFFFAOYSA-N
XLogP-0.41
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclohepta[b]pyrrol-6-amine?
The IUPAC name of 1H-cyclohepta[b]pyrrol-6-amine (CID 118358415) is 1H-cyclohepta[b]pyrrol-6-amine.
What is the SMILES notation for 1H-cyclohepta[b]pyrrol-6-amine?
The canonical SMILES for 1H-cyclohepta[b]pyrrol-6-amine is NC1=CC=c2[nH]ccc2=C=C1.
What is the InChIKey of 1H-cyclohepta[b]pyrrol-6-amine?
The InChIKey is UIGWVLUCJFRHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-8-2-1-7-5-6-11-9(7)4-3-8/h2-6,11H,10H2.
What are the key properties of 1H-cyclohepta[b]pyrrol-6-amine?
1H-cyclohepta[b]pyrrol-6-amine has a molecular weight of 144.18 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclohepta[b]pyrrol-6-amine is sourced from PubChem (CID 118358415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).