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

C10H12ClNO — CID 141008198

IUPAC2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1C=C2C=CC=CC=C2O1
InChIInChI=1S/C10H11NO.ClH/c11-7-9-6-8-4-2-1-3-5-10(8)12-9;/h1-6,9H,7,11H2;1H
InChIKeyONWVBVFLYWQYQN-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.70
Rot. Bonds1

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

2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride (PubChem CID 141008198) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride
PubChem CID141008198
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1C=C2C=CC=CC=C2O1
InChIInChI=1S/C10H11NO.ClH/c11-7-9-6-8-4-2-1-3-5-10(8)12-9;/h1-6,9H,7,11H2;1H
InChIKeyONWVBVFLYWQYQN-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.70
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;hydrochloride?
The IUPAC name of 2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride (CID 141008198) is 2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride?
The canonical SMILES for 2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride is Cl.NCC1C=C2C=CC=CC=C2O1.
What is the InChIKey of 2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride?
The InChIKey is ONWVBVFLYWQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c11-7-9-6-8-4-2-1-3-5-10(8)12-9;/h1-6,9H,7,11H2;1H.
What are the key properties of 2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride?
2H-cyclohepta[b]furan-2-ylmethanamine;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.70, 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;hydrochloride is sourced from PubChem (CID 141008198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).