2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

C10H19N3O7 — CID 173279567

IUPAC2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C6H12O6.C4H7N3O/c7-1-3(9)5(11)6(12)4(10)2-8;1-7-2-3(8)6-4(7)5/h1,3-6,8-12H,2H2;2H2,1H3,(H2,5,6,8)/t3-,4+,5+,6+;/m0./s1
InChIKeyINVFZHFGYBJOBL-BTVCFUMJSA-N
MW293.28 g/mol
LogP-4.40
Rot. Bonds5

About 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (PubChem CID 173279567) has the molecular formula C10H19N3O7 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Name2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
PubChem CID173279567
Molecular FormulaC10H19N3O7
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C6H12O6.C4H7N3O/c7-1-3(9)5(11)6(12)4(10)2-8;1-7-2-3(8)6-4(7)5/h1,3-6,8-12H,2H2;2H2,1H3,(H2,5,6,8)/t3-,4+,5+,6+;/m0./s1
InChIKeyINVFZHFGYBJOBL-BTVCFUMJSA-N
XLogP-4.40
TPSA174.41 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.28
LogP ≤ 5-4.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (CID 173279567) is 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H]/N=C1/NC(=O)CN1C.
What is the InChIKey of 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is INVFZHFGYBJOBL-BTVCFUMJSA-N. The full InChI is InChI=1S/C6H12O6.C4H7N3O/c7-1-3(9)5(11)6(12)4(10)2-8;1-7-2-3(8)6-4(7)5/h1,3-6,8-12H,2H2;2H2,1H3,(H2,5,6,8)/t3-,4+,5+,6+;/m0./s1.
What are the key properties of 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 293.28 g/mol, XLogP of -4.40, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylimidazolidin-4-one;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 173279567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).