2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide

C11H14NO- — CID 163576522

IUPAC2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide
SMILES[NH-]CCC1=C2CCOC2=CC=CC1
InChIInChI=1S/C11H14NO/c12-7-5-9-3-1-2-4-11-10(9)6-8-13-11/h1-2,4,12H,3,5-8H2/q-1
InChIKeyGDYHQFBTOKMHAM-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.99
Rot. Bonds2

About 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide

2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide (PubChem CID 163576522) has the molecular formula C11H14NO- and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide
PubChem CID163576522
Molecular FormulaC11H14NO-
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC Name2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide
SMILES[NH-]CCC1=C2CCOC2=CC=CC1
InChIInChI=1S/C11H14NO/c12-7-5-9-3-1-2-4-11-10(9)6-8-13-11/h1-2,4,12H,3,5-8H2/q-1
InChIKeyGDYHQFBTOKMHAM-UHFFFAOYSA-N
XLogP2.99
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide?
The IUPAC name of 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide (CID 163576522) is 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide.
What is the SMILES notation for 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide?
The canonical SMILES for 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide is [NH-]CCC1=C2CCOC2=CC=CC1.
What is the InChIKey of 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide?
The InChIKey is GDYHQFBTOKMHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO/c12-7-5-9-3-1-2-4-11-10(9)6-8-13-11/h1-2,4,12H,3,5-8H2/q-1.
What are the key properties of 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide?
2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide has a molecular weight of 176.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethylazanide is sourced from PubChem (CID 163576522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).