2H-cyclohepta[b]furan-4-amine

C9H9NO — CID 142531898

IUPAC2H-cyclohepta[b]furan-4-amine
SMILESNC1=CC=CC=C2OCC=C12
InChIInChI=1S/C9H9NO/c10-8-3-1-2-4-9-7(8)5-6-11-9/h1-5H,6,10H2
InChIKeyRGLGHHAIHGGKRT-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.24
Rot. Bonds

About 2H-cyclohepta[b]furan-4-amine

2H-cyclohepta[b]furan-4-amine (PubChem CID 142531898) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2H-cyclohepta[b]furan-4-amine.

Molecular Properties

Compound Name2H-cyclohepta[b]furan-4-amine
PubChem CID142531898
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2H-cyclohepta[b]furan-4-amine
SMILESNC1=CC=CC=C2OCC=C12
InChIInChI=1S/C9H9NO/c10-8-3-1-2-4-9-7(8)5-6-11-9/h1-5H,6,10H2
InChIKeyRGLGHHAIHGGKRT-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[b]furan-4-amine?
The IUPAC name of 2H-cyclohepta[b]furan-4-amine (CID 142531898) is 2H-cyclohepta[b]furan-4-amine.
What is the SMILES notation for 2H-cyclohepta[b]furan-4-amine?
The canonical SMILES for 2H-cyclohepta[b]furan-4-amine is NC1=CC=CC=C2OCC=C12.
What is the InChIKey of 2H-cyclohepta[b]furan-4-amine?
The InChIKey is RGLGHHAIHGGKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-8-3-1-2-4-9-7(8)5-6-11-9/h1-5H,6,10H2.
What are the key properties of 2H-cyclohepta[b]furan-4-amine?
2H-cyclohepta[b]furan-4-amine has a molecular weight of 147.18 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[b]furan-4-amine is sourced from PubChem (CID 142531898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).