cyclohepta[b]pyran-3-amine

C10H9NO — CID 141147805

IUPACcyclohepta[b]pyran-3-amine
SMILESNC1=COC2=CC=CC=CC2=C1
InChIInChI=1S/C10H9NO/c11-9-6-8-4-2-1-3-5-10(8)12-7-9/h1-7H,11H2
InChIKeyOQQXAKQETMHYLJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.75
Rot. Bonds

About cyclohepta[b]pyran-3-amine

cyclohepta[b]pyran-3-amine (PubChem CID 141147805) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is cyclohepta[b]pyran-3-amine.

Molecular Properties

Compound Namecyclohepta[b]pyran-3-amine
PubChem CID141147805
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Namecyclohepta[b]pyran-3-amine
SMILESNC1=COC2=CC=CC=CC2=C1
InChIInChI=1S/C10H9NO/c11-9-6-8-4-2-1-3-5-10(8)12-7-9/h1-7H,11H2
InChIKeyOQQXAKQETMHYLJ-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[b]pyran-3-amine?
The IUPAC name of cyclohepta[b]pyran-3-amine (CID 141147805) is cyclohepta[b]pyran-3-amine.
What is the SMILES notation for cyclohepta[b]pyran-3-amine?
The canonical SMILES for cyclohepta[b]pyran-3-amine is NC1=COC2=CC=CC=CC2=C1.
What is the InChIKey of cyclohepta[b]pyran-3-amine?
The InChIKey is OQQXAKQETMHYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-9-6-8-4-2-1-3-5-10(8)12-7-9/h1-7H,11H2.
What are the key properties of cyclohepta[b]pyran-3-amine?
cyclohepta[b]pyran-3-amine has a molecular weight of 159.19 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[b]pyran-3-amine is sourced from PubChem (CID 141147805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).