CID 87713044

C4H9NOPb — CID 87713044

IUPAC—
SMILESC1COCCN1.[Pb]
InChIInChI=1S/C4H9NO.Pb/c1-3-6-4-2-5-1;/h5H,1-4H2;
InChIKeyYFRAMAOTJLZGSR-UHFFFAOYSA-N
MW294.32 g/mol
LogP-0.77
Rot. Bonds

About CID 87713044

CID 87713044 (PubChem CID 87713044) has the molecular formula C4H9NOPb and a molecular weight of 294.32 g/mol.

Molecular Properties

Compound NameCID 87713044
PubChem CID87713044
Molecular FormulaC4H9NOPb
Molecular Weight294.32 g/mol
Exact Mass295.05
IUPAC Name—
SMILESC1COCCN1.[Pb]
InChIInChI=1S/C4H9NO.Pb/c1-3-6-4-2-5-1;/h5H,1-4H2;
InChIKeyYFRAMAOTJLZGSR-UHFFFAOYSA-N
XLogP-0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87713044?
The IUPAC name of CID 87713044 (CID 87713044) is not available.
What is the SMILES notation for CID 87713044?
The canonical SMILES for CID 87713044 is C1COCCN1.[Pb].
What is the InChIKey of CID 87713044?
The InChIKey is YFRAMAOTJLZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.Pb/c1-3-6-4-2-5-1;/h5H,1-4H2;.
What are the key properties of CID 87713044?
CID 87713044 has a molecular weight of 294.32 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87713044 is sourced from PubChem (CID 87713044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).