7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one

C15H16N4O3 — CID 664968

IUPAC7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
SMILESCCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12
InChIInChI=1S/C15H16N4O3/c1-3-4-10-7-14(20)22-12-6-9(2)5-11(15(10)12)21-8-13-16-18-19-17-13/h5-7H,3-4,8H2,1-2H3,(H,16,17,18,19)
InChIKeySLTJVFXKOMINPC-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.15
Rot. Bonds5

About 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one

7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one (PubChem CID 664968) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
PubChem CID664968
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
SMILESCCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12
InChIInChI=1S/C15H16N4O3/c1-3-4-10-7-14(20)22-12-6-9(2)5-11(15(10)12)21-8-13-16-18-19-17-13/h5-7H,3-4,8H2,1-2H3,(H,16,17,18,19)
InChIKeySLTJVFXKOMINPC-UHFFFAOYSA-N
XLogP2.15
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
CID 3378282
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118
7-methyl-5-(1,4-oxazepan-6-ylmethoxy)-4-propylchromen-2-one;hydrochloride
CID 172897075
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4906700
2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
CID 3664519
5-[(3,5-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076911
3-methyl-2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]butanoic acid
CID 71949437
4-butyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one
CID 2207304
4-ethyl-5-[2-(3-hydroxyazetidin-1-yl)-2-oxoethoxy]-7-methylchromen-2-one
CID 171915504
6-chloro-7-[(3-methylphenyl)methoxy]-4-propylchromen-2-one
CID 23911560
5-[(2-bromophenyl)methoxy]-4,7-dimethylchromen-2-one
CID 2196697

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
The IUPAC name of 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one (CID 664968) is 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one.
What is the SMILES notation for 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
The canonical SMILES for 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one is CCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12.
What is the InChIKey of 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
The InChIKey is SLTJVFXKOMINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-4-10-7-14(20)22-12-6-9(2)5-11(15(10)12)21-8-13-16-18-19-17-13/h5-7H,3-4,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one has a molecular weight of 300.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one is sourced from PubChem (CID 664968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).