1,1-diaminourea;4-methylchromen-2-one

C11H14N4O3 — CID 174896620

IUPAC1,1-diaminourea;4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccccc12.NC(=O)N(N)N
InChIInChI=1S/C10H8O2.CH6N4O/c1-7-6-10(11)12-9-5-3-2-4-8(7)9;2-1(6)5(3)4/h2-6H,1H3;3-4H2,(H2,2,6)
InChIKeyFOODYLQUQPREEE-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.22
Rot. Bonds

About 1,1-diaminourea;4-methylchromen-2-one

1,1-diaminourea;4-methylchromen-2-one (PubChem CID 174896620) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1,1-diaminourea;4-methylchromen-2-one.

Molecular Properties

Compound Name1,1-diaminourea;4-methylchromen-2-one
PubChem CID174896620
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1,1-diaminourea;4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccccc12.NC(=O)N(N)N
InChIInChI=1S/C10H8O2.CH6N4O/c1-7-6-10(11)12-9-5-3-2-4-8(7)9;2-1(6)5(3)4/h2-6H,1H3;3-4H2,(H2,2,6)
InChIKeyFOODYLQUQPREEE-UHFFFAOYSA-N
XLogP0.22
TPSA128.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyltin;4-methylchromen-2-one
CID 175284443
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CID 91273274
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
CID 983535
4-(4,5-dihydroxy-2-methylphenyl)sulfanylchromen-2-one
CID 25128694
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
ethyl 2-[(2-oxochromen-4-yl)methyl]prop-2-enoate
CID 14870004
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride
CID 87630650
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527

Frequently Asked Questions

What is the IUPAC name of 1,1-diaminourea;4-methylchromen-2-one?
The IUPAC name of 1,1-diaminourea;4-methylchromen-2-one (CID 174896620) is 1,1-diaminourea;4-methylchromen-2-one.
What is the SMILES notation for 1,1-diaminourea;4-methylchromen-2-one?
The canonical SMILES for 1,1-diaminourea;4-methylchromen-2-one is Cc1cc(=O)oc2ccccc12.NC(=O)N(N)N.
What is the InChIKey of 1,1-diaminourea;4-methylchromen-2-one?
The InChIKey is FOODYLQUQPREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.CH6N4O/c1-7-6-10(11)12-9-5-3-2-4-8(7)9;2-1(6)5(3)4/h2-6H,1H3;3-4H2,(H2,2,6).
What are the key properties of 1,1-diaminourea;4-methylchromen-2-one?
1,1-diaminourea;4-methylchromen-2-one has a molecular weight of 250.26 g/mol, XLogP of 0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminourea;4-methylchromen-2-one is sourced from PubChem (CID 174896620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).