3,4-dihydro-2H-chromen-6-amine

C9H11NO — CID 13297891

IUPAC3,4-dihydro-2H-chromen-6-amine
SMILESNc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H11NO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5,10H2
InChIKeyGYELWTXNPXFOGQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.59
Rot. Bonds

About 3,4-dihydro-2H-chromen-6-amine

3,4-dihydro-2H-chromen-6-amine (PubChem CID 13297891) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-amine
PubChem CID13297891
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,4-dihydro-2H-chromen-6-amine
SMILESNc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H11NO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5,10H2
InChIKeyGYELWTXNPXFOGQ-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 3,4-dihydro-2H-chromen-6-amine (CID 13297891) is 3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-amine is Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-amine?
The InChIKey is GYELWTXNPXFOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5,10H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-amine?
3,4-dihydro-2H-chromen-6-amine has a molecular weight of 149.19 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 13297891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).