5,6,7,8-tetrahydro-1H-isochromen-5-amine

C9H13NO — CID 70590430

IUPAC5,6,7,8-tetrahydro-1H-isochromen-5-amine
SMILESNC1CCCC2=C1C=COC2
InChIInChI=1S/C9H13NO/c10-9-3-1-2-7-6-11-5-4-8(7)9/h4-5,9H,1-3,6,10H2
InChIKeyNWJZTATWSLYDLB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.34
Rot. Bonds

About 5,6,7,8-tetrahydro-1H-isochromen-5-amine

5,6,7,8-tetrahydro-1H-isochromen-5-amine (PubChem CID 70590430) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-isochromen-5-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-isochromen-5-amine
PubChem CID70590430
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5,6,7,8-tetrahydro-1H-isochromen-5-amine
SMILESNC1CCCC2=C1C=COC2
InChIInChI=1S/C9H13NO/c10-9-3-1-2-7-6-11-5-4-8(7)9/h4-5,9H,1-3,6,10H2
InChIKeyNWJZTATWSLYDLB-UHFFFAOYSA-N
XLogP1.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1H-isochromen-5-amine?
The IUPAC name of 5,6,7,8-tetrahydro-1H-isochromen-5-amine (CID 70590430) is 5,6,7,8-tetrahydro-1H-isochromen-5-amine.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-isochromen-5-amine?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-isochromen-5-amine is NC1CCCC2=C1C=COC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-isochromen-5-amine?
The InChIKey is NWJZTATWSLYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-9-3-1-2-7-6-11-5-4-8(7)9/h4-5,9H,1-3,6,10H2.
What are the key properties of 5,6,7,8-tetrahydro-1H-isochromen-5-amine?
5,6,7,8-tetrahydro-1H-isochromen-5-amine has a molecular weight of 151.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1H-isochromen-5-amine is sourced from PubChem (CID 70590430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).