4aH-benzo[c]chromen-1-amine

C13H11NO — CID 88848450

IUPAC4aH-benzo[c]chromen-1-amine
SMILESNC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C13H11NO/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-8,12H,14H2
InChIKeyUJZUIRHRJNFTQI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.39
Rot. Bonds

About 4aH-benzo[c]chromen-1-amine

4aH-benzo[c]chromen-1-amine (PubChem CID 88848450) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4aH-benzo[c]chromen-1-amine.

Molecular Properties

Compound Name4aH-benzo[c]chromen-1-amine
PubChem CID88848450
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4aH-benzo[c]chromen-1-amine
SMILESNC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C13H11NO/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-8,12H,14H2
InChIKeyUJZUIRHRJNFTQI-UHFFFAOYSA-N
XLogP0.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4aH-benzo[c]chromen-1-amine?
The IUPAC name of 4aH-benzo[c]chromen-1-amine (CID 88848450) is 4aH-benzo[c]chromen-1-amine.
What is the SMILES notation for 4aH-benzo[c]chromen-1-amine?
The canonical SMILES for 4aH-benzo[c]chromen-1-amine is NC1=CC=CC2OC=c3ccccc3=C12.
What is the InChIKey of 4aH-benzo[c]chromen-1-amine?
The InChIKey is UJZUIRHRJNFTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-8,12H,14H2.
What are the key properties of 4aH-benzo[c]chromen-1-amine?
4aH-benzo[c]chromen-1-amine has a molecular weight of 197.24 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-benzo[c]chromen-1-amine is sourced from PubChem (CID 88848450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).