6,7-dihydro-2H-chromen-2-amine

C9H11NO — CID 155471990

IUPAC6,7-dihydro-2H-chromen-2-amine
SMILESNC1C=CC2=CCCC=C2O1
InChIInChI=1S/C9H11NO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h3-6,9H,1-2,10H2
InChIKeyPGHUSFFTDOCJLD-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.46
Rot. Bonds

About 6,7-dihydro-2H-chromen-2-amine

6,7-dihydro-2H-chromen-2-amine (PubChem CID 155471990) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6,7-dihydro-2H-chromen-2-amine.

Molecular Properties

Compound Name6,7-dihydro-2H-chromen-2-amine
PubChem CID155471990
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6,7-dihydro-2H-chromen-2-amine
SMILESNC1C=CC2=CCCC=C2O1
InChIInChI=1S/C9H11NO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h3-6,9H,1-2,10H2
InChIKeyPGHUSFFTDOCJLD-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-2H-chromen-2-amine?
The IUPAC name of 6,7-dihydro-2H-chromen-2-amine (CID 155471990) is 6,7-dihydro-2H-chromen-2-amine.
What is the SMILES notation for 6,7-dihydro-2H-chromen-2-amine?
The canonical SMILES for 6,7-dihydro-2H-chromen-2-amine is NC1C=CC2=CCCC=C2O1.
What is the InChIKey of 6,7-dihydro-2H-chromen-2-amine?
The InChIKey is PGHUSFFTDOCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h3-6,9H,1-2,10H2.
What are the key properties of 6,7-dihydro-2H-chromen-2-amine?
6,7-dihydro-2H-chromen-2-amine has a molecular weight of 149.19 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-2H-chromen-2-amine is sourced from PubChem (CID 155471990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).