7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine

C11H15NO — CID 156794167

IUPAC7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
SMILESCC1(N)C=CC2=C(C=C1)OCCC2
InChIInChI=1S/C11H15NO/c1-11(12)6-4-9-3-2-8-13-10(9)5-7-11/h4-7H,2-3,8,12H2,1H3
InChIKeyDMNMVMJQJDQBRE-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.89
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine

7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine (PubChem CID 156794167) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
PubChem CID156794167
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
SMILESCC1(N)C=CC2=C(C=C1)OCCC2
InChIInChI=1S/C11H15NO/c1-11(12)6-4-9-3-2-8-13-10(9)5-7-11/h4-7H,2-3,8,12H2,1H3
InChIKeyDMNMVMJQJDQBRE-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
The IUPAC name of 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine (CID 156794167) is 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine is CC1(N)C=CC2=C(C=C1)OCCC2.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
The InChIKey is DMNMVMJQJDQBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(12)6-4-9-3-2-8-13-10(9)5-7-11/h4-7H,2-3,8,12H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine?
7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine has a molecular weight of 177.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine is sourced from PubChem (CID 156794167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).