CID 59694554

C6H12NO — CID 59694554

IUPAC—
SMILESCC1CCCN[CH]O1
InChIInChI=1S/C6H12NO/c1-6-3-2-4-7-5-8-6/h5-7H,2-4H2,1H3
InChIKeyYRWWNAQGEYEJBY-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.89
Rot. Bonds

About CID 59694554

CID 59694554 (PubChem CID 59694554) has the molecular formula C6H12NO and a molecular weight of 114.17 g/mol.

Molecular Properties

Compound NameCID 59694554
PubChem CID59694554
Molecular FormulaC6H12NO
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name—
SMILESCC1CCCN[CH]O1
InChIInChI=1S/C6H12NO/c1-6-3-2-4-7-5-8-6/h5-7H,2-4H2,1H3
InChIKeyYRWWNAQGEYEJBY-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141105834
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CID 162224348
3-tert-butyl-2-methylpiperidine
CID 91446438
6-methyl-1,5,2-dioxazocane
CID 155479738
2-[(5-methyloxolan-2-yl)methyl]pyrrolidine
CID 104687972
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782

Frequently Asked Questions

What is the IUPAC name of CID 59694554?
The IUPAC name of CID 59694554 (CID 59694554) is not available.
What is the SMILES notation for CID 59694554?
The canonical SMILES for CID 59694554 is CC1CCCN[CH]O1.
What is the InChIKey of CID 59694554?
The InChIKey is YRWWNAQGEYEJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO/c1-6-3-2-4-7-5-8-6/h5-7H,2-4H2,1H3.
What are the key properties of CID 59694554?
CID 59694554 has a molecular weight of 114.17 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694554 is sourced from PubChem (CID 59694554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).