CID 77217086

C5H9KNO — CID 77217086

IUPAC—
SMILESO=C1CCCCN1.[K]
InChIInChI=1S/C5H9NO.K/c7-5-3-1-2-4-6-5;/h1-4H2,(H,6,7);
InChIKeyLYLDHPBMPWFZTG-UHFFFAOYSA-N
MW138.23 g/mol
LogP-0.09
Rot. Bonds

About CID 77217086

CID 77217086 (PubChem CID 77217086) has the molecular formula C5H9KNO and a molecular weight of 138.23 g/mol.

Molecular Properties

Compound NameCID 77217086
PubChem CID77217086
Molecular FormulaC5H9KNO
Molecular Weight138.23 g/mol
Exact Mass138.03
IUPAC Name—
SMILESO=C1CCCCN1.[K]
InChIInChI=1S/C5H9NO.K/c7-5-3-1-2-4-6-5;/h1-4H2,(H,6,7);
InChIKeyLYLDHPBMPWFZTG-UHFFFAOYSA-N
XLogP-0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 77217086?
The IUPAC name of CID 77217086 (CID 77217086) is not available.
What is the SMILES notation for CID 77217086?
The canonical SMILES for CID 77217086 is O=C1CCCCN1.[K].
What is the InChIKey of CID 77217086?
The InChIKey is LYLDHPBMPWFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.K/c7-5-3-1-2-4-6-5;/h1-4H2,(H,6,7);.
What are the key properties of CID 77217086?
CID 77217086 has a molecular weight of 138.23 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 77217086 is sourced from PubChem (CID 77217086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).