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

C9H11NO — CID 4961957

IUPAC3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2ccccc21
InChIInChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2
InChIKeyLCOFMNJNNXWKOC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.47
Rot. Bonds

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

3,4-dihydro-2H-chromen-4-amine (PubChem CID 4961957) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-amine
PubChem CID4961957
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2ccccc21
InChIInChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2
InChIKeyLCOFMNJNNXWKOC-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3,4-dihydro-2H-chromen-4-amine (CID 4961957) is 3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-amine is NC1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LCOFMNJNNXWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2.
What are the key properties of 3,4-dihydro-2H-chromen-4-amine?
3,4-dihydro-2H-chromen-4-amine has a molecular weight of 149.19 g/mol, XLogP of 1.47, 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-4-amine is sourced from PubChem (CID 4961957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).