CID 140670833

C12H22NO2 — CID 140670833

IUPAC—
SMILESC/C=C/OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H22NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyBVQJLYPWDDJPEC-VOTSOKGWSA-N
MW212.31 g/mol
LogP2.90
Rot. Bonds2

About CID 140670833

CID 140670833 (PubChem CID 140670833) has the molecular formula C12H22NO2 and a molecular weight of 212.31 g/mol.

Molecular Properties

Compound NameCID 140670833
PubChem CID140670833
Molecular FormulaC12H22NO2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name—
SMILESC/C=C/OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H22NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyBVQJLYPWDDJPEC-VOTSOKGWSA-N
XLogP2.90
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140670833?
The IUPAC name of CID 140670833 (CID 140670833) is not available.
What is the SMILES notation for CID 140670833?
The canonical SMILES for CID 140670833 is C/C=C/OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140670833?
The InChIKey is BVQJLYPWDDJPEC-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H22NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h6-7,10H,8-9H2,1-5H3/b7-6+.
What are the key properties of CID 140670833?
CID 140670833 has a molecular weight of 212.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140670833 is sourced from PubChem (CID 140670833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).