1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one

C11H18N2O2 — CID 139455844

IUPAC1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCCCC(N)O
InChIInChI=1S/C11H18N2O2/c1-9-6-7-11(15)13(9)8-4-2-3-5-10(12)14/h6-7,10,14H,1-5,8,12H2
InChIKeyWPCLNIADSMIAHI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.74
Rot. Bonds6

About 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one

1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one (PubChem CID 139455844) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one
PubChem CID139455844
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCCCC(N)O
InChIInChI=1S/C11H18N2O2/c1-9-6-7-11(15)13(9)8-4-2-3-5-10(12)14/h6-7,10,14H,1-5,8,12H2
InChIKeyWPCLNIADSMIAHI-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one (CID 139455844) is 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CCCCCC(N)O.
What is the InChIKey of 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one?
The InChIKey is WPCLNIADSMIAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-6-7-11(15)13(9)8-4-2-3-5-10(12)14/h6-7,10,14H,1-5,8,12H2.
What are the key properties of 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one?
1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-6-hydroxyhexyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 139455844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).