5H-chromen-8-amine

C9H9NO — CID 90357645

IUPAC5H-chromen-8-amine
SMILESNC1=C2OC=CC=C2CC=C1
InChIInChI=1S/C9H9NO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-2,4-6H,3,10H2
InChIKeyKXHHWBAEHOFNBP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.59
Rot. Bonds

About 5H-chromen-8-amine

5H-chromen-8-amine (PubChem CID 90357645) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5H-chromen-8-amine.

Molecular Properties

Compound Name5H-chromen-8-amine
PubChem CID90357645
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5H-chromen-8-amine
SMILESNC1=C2OC=CC=C2CC=C1
InChIInChI=1S/C9H9NO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-2,4-6H,3,10H2
InChIKeyKXHHWBAEHOFNBP-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 ≤ 500147.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-chromen-8-amine?
The IUPAC name of 5H-chromen-8-amine (CID 90357645) is 5H-chromen-8-amine.
What is the SMILES notation for 5H-chromen-8-amine?
The canonical SMILES for 5H-chromen-8-amine is NC1=C2OC=CC=C2CC=C1.
What is the InChIKey of 5H-chromen-8-amine?
The InChIKey is KXHHWBAEHOFNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-2,4-6H,3,10H2.
What are the key properties of 5H-chromen-8-amine?
5H-chromen-8-amine has a molecular weight of 147.18 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 5H-chromen-8-amine is sourced from PubChem (CID 90357645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).