CID 58998271

C6H11NO — CID 58998271

IUPAC—
SMILES[CH]N1CCC(O)CC1
InChIInChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h1,6,8H,2-5H2
InChIKeyPBHLBZBJQIAKIG-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.11
Rot. Bonds

About CID 58998271

CID 58998271 (PubChem CID 58998271) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 58998271
PubChem CID58998271
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name—
SMILES[CH]N1CCC(O)CC1
InChIInChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h1,6,8H,2-5H2
InChIKeyPBHLBZBJQIAKIG-UHFFFAOYSA-N
XLogP0.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58998271?
The IUPAC name of CID 58998271 (CID 58998271) is not available.
What is the SMILES notation for CID 58998271?
The canonical SMILES for CID 58998271 is [CH]N1CCC(O)CC1.
What is the InChIKey of CID 58998271?
The InChIKey is PBHLBZBJQIAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h1,6,8H,2-5H2.
What are the key properties of CID 58998271?
CID 58998271 has a molecular weight of 113.16 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998271 is sourced from PubChem (CID 58998271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).