CID 58450387

C7H13NO — CID 58450387

IUPAC—
SMILES[CH]OC1CCN(C)CC1
InChIInChI=1S/C7H13NO/c1-8-5-3-7(9-2)4-6-8/h2,7H,3-6H2,1H3
InChIKeyPOMDLJBGPMWIHA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.77
Rot. Bonds1

About CID 58450387

CID 58450387 (PubChem CID 58450387) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol.

Molecular Properties

Compound NameCID 58450387
PubChem CID58450387
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name—
SMILES[CH]OC1CCN(C)CC1
InChIInChI=1S/C7H13NO/c1-8-5-3-7(9-2)4-6-8/h2,7H,3-6H2,1H3
InChIKeyPOMDLJBGPMWIHA-UHFFFAOYSA-N
XLogP0.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58450387?
The IUPAC name of CID 58450387 (CID 58450387) is not available.
What is the SMILES notation for CID 58450387?
The canonical SMILES for CID 58450387 is [CH]OC1CCN(C)CC1.
What is the InChIKey of CID 58450387?
The InChIKey is POMDLJBGPMWIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-7(9-2)4-6-8/h2,7H,3-6H2,1H3.
What are the key properties of CID 58450387?
CID 58450387 has a molecular weight of 127.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450387 is sourced from PubChem (CID 58450387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).