molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one

C13H19N3O — CID 144787514

IUPACmolecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one
SMILESO=C1N=C2C3CC3C=CC2N1C1CCNCC1.[H][H]
InChIInChI=1S/C13H17N3O.H2/c17-13-15-12-10-7-8(10)1-2-11(12)16(13)9-3-5-14-6-4-9;/h1-2,8-11,14H,3-7H2;1H
InChIKeyIMZMLPJPEXABOR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds1

About molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one

molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one (PubChem CID 144787514) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one.

Molecular Properties

Compound Namemolecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one
PubChem CID144787514
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Namemolecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one
SMILESO=C1N=C2C3CC3C=CC2N1C1CCNCC1.[H][H]
InChIInChI=1S/C13H17N3O.H2/c17-13-15-12-10-7-8(10)1-2-11(12)16(13)9-3-5-14-6-4-9;/h1-2,8-11,14H,3-7H2;1H
InChIKeyIMZMLPJPEXABOR-UHFFFAOYSA-N
XLogP1.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one?
The IUPAC name of molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one (CID 144787514) is molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one.
What is the SMILES notation for molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one?
The canonical SMILES for molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one is O=C1N=C2C3CC3C=CC2N1C1CCNCC1.[H][H].
What is the InChIKey of molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one?
The InChIKey is IMZMLPJPEXABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.H2/c17-13-15-12-10-7-8(10)1-2-11(12)16(13)9-3-5-14-6-4-9;/h1-2,8-11,14H,3-7H2;1H.
What are the key properties of molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one?
molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-piperidin-4-yl-3a,5a,6,6a-tetrahydrocyclopropa[e]benzimidazol-2-one is sourced from PubChem (CID 144787514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).