2H-cyclohepta[b]furan-2-ylmethanamine

C10H11NO — CID 87962524

IUPAC2H-cyclohepta[b]furan-2-ylmethanamine
SMILESNCC1C=C2C=CC=CC=C2O1
InChIInChI=1S/C10H11NO/c11-7-9-6-8-4-2-1-3-5-10(8)12-9/h1-6,9H,7,11H2
InChIKeyGNBSFNIPZPZGCX-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.28
Rot. Bonds1

About 2H-cyclohepta[b]furan-2-ylmethanamine

2H-cyclohepta[b]furan-2-ylmethanamine (PubChem CID 87962524) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2H-cyclohepta[b]furan-2-ylmethanamine.

Molecular Properties

Compound Name2H-cyclohepta[b]furan-2-ylmethanamine
PubChem CID87962524
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2H-cyclohepta[b]furan-2-ylmethanamine
SMILESNCC1C=C2C=CC=CC=C2O1
InChIInChI=1S/C10H11NO/c11-7-9-6-8-4-2-1-3-5-10(8)12-9/h1-6,9H,7,11H2
InChIKeyGNBSFNIPZPZGCX-UHFFFAOYSA-N
XLogP1.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.28
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-2-ylmethanamine?
The IUPAC name of 2H-cyclohepta[b]furan-2-ylmethanamine (CID 87962524) is 2H-cyclohepta[b]furan-2-ylmethanamine.
What is the SMILES notation for 2H-cyclohepta[b]furan-2-ylmethanamine?
The canonical SMILES for 2H-cyclohepta[b]furan-2-ylmethanamine is NCC1C=C2C=CC=CC=C2O1.
What is the InChIKey of 2H-cyclohepta[b]furan-2-ylmethanamine?
The InChIKey is GNBSFNIPZPZGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-7-9-6-8-4-2-1-3-5-10(8)12-9/h1-6,9H,7,11H2.
What are the key properties of 2H-cyclohepta[b]furan-2-ylmethanamine?
2H-cyclohepta[b]furan-2-ylmethanamine has a molecular weight of 161.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[b]furan-2-ylmethanamine is sourced from PubChem (CID 87962524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).