chromen-2-one;2,6-diaminohexanoic acid

C15H20N2O4 — CID 118237796

IUPACchromen-2-one;2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C6H14N2O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;7-4-2-1-3-5(8)6(9)10/h1-6H;5H,1-4,7-8H2,(H,9,10)
InChIKeyAIXRHBLCJKRVLG-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.32
Rot. Bonds5

About chromen-2-one;2,6-diaminohexanoic acid

chromen-2-one;2,6-diaminohexanoic acid (PubChem CID 118237796) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is chromen-2-one;2,6-diaminohexanoic acid.

Molecular Properties

Compound Namechromen-2-one;2,6-diaminohexanoic acid
PubChem CID118237796
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namechromen-2-one;2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C6H14N2O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;7-4-2-1-3-5(8)6(9)10/h1-6H;5H,1-4,7-8H2,(H,9,10)
InChIKeyAIXRHBLCJKRVLG-UHFFFAOYSA-N
XLogP1.32
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
sodium 2,6-diaminohexanoic acid
CID 18320454
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180

Frequently Asked Questions

What is the IUPAC name of chromen-2-one;2,6-diaminohexanoic acid?
The IUPAC name of chromen-2-one;2,6-diaminohexanoic acid (CID 118237796) is chromen-2-one;2,6-diaminohexanoic acid.
What is the SMILES notation for chromen-2-one;2,6-diaminohexanoic acid?
The canonical SMILES for chromen-2-one;2,6-diaminohexanoic acid is NCCCCC(N)C(=O)O.O=c1ccc2ccccc2o1.
What is the InChIKey of chromen-2-one;2,6-diaminohexanoic acid?
The InChIKey is AIXRHBLCJKRVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C6H14N2O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;7-4-2-1-3-5(8)6(9)10/h1-6H;5H,1-4,7-8H2,(H,9,10).
What are the key properties of chromen-2-one;2,6-diaminohexanoic acid?
chromen-2-one;2,6-diaminohexanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;2,6-diaminohexanoic acid is sourced from PubChem (CID 118237796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).