4-methyl-7-(pentylamino)chromen-2-one

C15H19NO2 — CID 88996425

IUPAC4-methyl-7-(pentylamino)chromen-2-one
SMILESCCCCCNc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H19NO2/c1-3-4-5-8-16-12-6-7-13-11(2)9-15(17)18-14(13)10-12/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyRWWIWUXVEZDUIS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.70
Rot. Bonds5

About 4-methyl-7-(pentylamino)chromen-2-one

4-methyl-7-(pentylamino)chromen-2-one (PubChem CID 88996425) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methyl-7-(pentylamino)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(pentylamino)chromen-2-one
PubChem CID88996425
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-methyl-7-(pentylamino)chromen-2-one
SMILESCCCCCNc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H19NO2/c1-3-4-5-8-16-12-6-7-13-11(2)9-15(17)18-14(13)10-12/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyRWWIWUXVEZDUIS-UHFFFAOYSA-N
XLogP3.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-fluorobutylamino)-4-methylchromen-2-one
CID 166193275
1-heptyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650890
1-(4-methyl-2-oxochromen-7-yl)-3-nonylthiourea
CID 19651148
1,1-dihexyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19653426
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 3690863
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
7-anilino-4-methylchromen-2-one
CID 804341
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
4-methyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]chromen-2-one
CID 43074577
N-heptyl-3,4-dimethylaniline
CID 43129292
7-ethyl-4-methylchromen-2-one
CID 5160585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(pentylamino)chromen-2-one?
The IUPAC name of 4-methyl-7-(pentylamino)chromen-2-one (CID 88996425) is 4-methyl-7-(pentylamino)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(pentylamino)chromen-2-one?
The canonical SMILES for 4-methyl-7-(pentylamino)chromen-2-one is CCCCCNc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 4-methyl-7-(pentylamino)chromen-2-one?
The InChIKey is RWWIWUXVEZDUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-5-8-16-12-6-7-13-11(2)9-15(17)18-14(13)10-12/h6-7,9-10,16H,3-5,8H2,1-2H3.
What are the key properties of 4-methyl-7-(pentylamino)chromen-2-one?
4-methyl-7-(pentylamino)chromen-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(pentylamino)chromen-2-one is sourced from PubChem (CID 88996425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).