CID 134964670

C12H24NO2Ti — CID 134964670

IUPAC—
SMILESC[C](CO)CC/C=C/C(=O)N(C)C.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C10H18NO2.2CH3.Ti/c1-9(8-12)6-4-5-7-10(13)11(2)3;;;/h5,7,12H,4,6,8H2,1-3H3;2*1H3;/q;2*-1;+2/b7-5+;;;
InChIKeyCHNNMHJWIVKFMZ-OACAQMFHSA-N
MW262.20 g/mol
LogP1.90
Rot. Bonds5

About CID 134964670

CID 134964670 (PubChem CID 134964670) has the molecular formula C12H24NO2Ti and a molecular weight of 262.20 g/mol.

Molecular Properties

Compound NameCID 134964670
PubChem CID134964670
Molecular FormulaC12H24NO2Ti
Molecular Weight262.20 g/mol
Exact Mass262.13
IUPAC Name—
SMILESC[C](CO)CC/C=C/C(=O)N(C)C.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C10H18NO2.2CH3.Ti/c1-9(8-12)6-4-5-7-10(13)11(2)3;;;/h5,7,12H,4,6,8H2,1-3H3;2*1H3;/q;2*-1;+2/b7-5+;;;
InChIKeyCHNNMHJWIVKFMZ-OACAQMFHSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134964670?
The IUPAC name of CID 134964670 (CID 134964670) is not available.
What is the SMILES notation for CID 134964670?
The canonical SMILES for CID 134964670 is C[C](CO)CC/C=C/C(=O)N(C)C.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of CID 134964670?
The InChIKey is CHNNMHJWIVKFMZ-OACAQMFHSA-N. The full InChI is InChI=1S/C10H18NO2.2CH3.Ti/c1-9(8-12)6-4-5-7-10(13)11(2)3;;;/h5,7,12H,4,6,8H2,1-3H3;2*1H3;/q;2*-1;+2/b7-5+;;;.
What are the key properties of CID 134964670?
CID 134964670 has a molecular weight of 262.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134964670 is sourced from PubChem (CID 134964670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).