5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one

C14H13NO3 — CID 71598409

IUPAC5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one
SMILESCOc1ccc2cc(N)c3c(c2c1)OC(=O)CC3
InChIInChI=1S/C14H13NO3/c1-17-9-3-2-8-6-12(15)10-4-5-13(16)18-14(10)11(8)7-9/h2-3,6-7H,4-5,15H2,1H3
InChIKeyGJRIECBYJRFPCW-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.28
Rot. Bonds1

About 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one

5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one (PubChem CID 71598409) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one.

Molecular Properties

Compound Name5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one
PubChem CID71598409
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one
SMILESCOc1ccc2cc(N)c3c(c2c1)OC(=O)CC3
InChIInChI=1S/C14H13NO3/c1-17-9-3-2-8-6-12(15)10-4-5-13(16)18-14(10)11(8)7-9/h2-3,6-7H,4-5,15H2,1H3
InChIKeyGJRIECBYJRFPCW-UHFFFAOYSA-N
XLogP2.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

9-Methoxytariacuripyrone
CID 71592252
2-[5-amino-2-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-3,6-dimethylphenyl]acetic acid
CID 145567708
3-amino-11-fluoro-9-methoxy-2-methyl-7H-benzo[d][1]benzoxepin-6-one
CID 164597977
3-Amino-9-fluoro-8-methoxybenzo[c]chromen-6-one
CID 164598354
3-Amino-9-fluoro-8-methoxy-2-methylbenzo[c]chromen-6-one
CID 164598554
3-Amino-8-(1-fluoroethyl)benzo[c]chromen-6-one
CID 167607300
3-Amino-9-fluoro-8-(1-methoxypentan-3-yloxy)-2-methylbenzo[c]chromen-6-one
CID 172595875
6-Amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one
CID 102501424
7-(2-Aminophenyl)-6-(methoxycarbonyl)-2h-chromen-2-one
CID 129750914
11-Aminonaphtho[1,2-c]isochromen-6-one
CID 138982155
Methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate
CID 139218983
2-[4-Benzyloxy-2-aminonaphthalen-1-yl]ethyl acetate
CID 11232944

Frequently Asked Questions

What is the IUPAC name of 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one?
The IUPAC name of 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one (CID 71598409) is 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one.
What is the SMILES notation for 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one?
The canonical SMILES for 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one is COc1ccc2cc(N)c3c(c2c1)OC(=O)CC3.
What is the InChIKey of 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one?
The InChIKey is GJRIECBYJRFPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-9-3-2-8-6-12(15)10-4-5-13(16)18-14(10)11(8)7-9/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one?
5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one has a molecular weight of 243.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one is sourced from PubChem (CID 71598409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).