CID 59111267

C7H14NO — CID 59111267

IUPAC—
SMILESC[C@@H]1OC[C@@H](C)[CH]C1N
InChIInChI=1S/C7H14NO/c1-5-3-7(8)6(2)9-4-5/h3,5-7H,4,8H2,1-2H3/t5-,6-,7?/m0/s1
InChIKeyAXZLBBRHJMLWNV-WABBHOIFSA-N
MW128.19 g/mol
LogP0.57
Rot. Bonds

About CID 59111267

CID 59111267 (PubChem CID 59111267) has the molecular formula C7H14NO and a molecular weight of 128.19 g/mol.

Molecular Properties

Compound NameCID 59111267
PubChem CID59111267
Molecular FormulaC7H14NO
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name—
SMILESC[C@@H]1OC[C@@H](C)[CH]C1N
InChIInChI=1S/C7H14NO/c1-5-3-7(8)6(2)9-4-5/h3,5-7H,4,8H2,1-2H3/t5-,6-,7?/m0/s1
InChIKeyAXZLBBRHJMLWNV-WABBHOIFSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59111267?
The IUPAC name of CID 59111267 (CID 59111267) is not available.
What is the SMILES notation for CID 59111267?
The canonical SMILES for CID 59111267 is C[C@@H]1OC[C@@H](C)[CH]C1N.
What is the InChIKey of CID 59111267?
The InChIKey is AXZLBBRHJMLWNV-WABBHOIFSA-N. The full InChI is InChI=1S/C7H14NO/c1-5-3-7(8)6(2)9-4-5/h3,5-7H,4,8H2,1-2H3/t5-,6-,7?/m0/s1.
What are the key properties of CID 59111267?
CID 59111267 has a molecular weight of 128.19 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59111267 is sourced from PubChem (CID 59111267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).