CID 102062250

C9H18NO — CID 102062250

IUPAC—
SMILESCC(C)(C)C(=N[O])C(C)(C)C
InChIInChI=1S/C9H18NO/c1-8(2,3)7(10-11)9(4,5)6/h1-6H3
InChIKeySMFKRADJAKWWHU-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.87
Rot. Bonds

About CID 102062250

CID 102062250 (PubChem CID 102062250) has the molecular formula C9H18NO and a molecular weight of 156.25 g/mol.

Molecular Properties

Compound NameCID 102062250
PubChem CID102062250
Molecular FormulaC9H18NO
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name—
SMILESCC(C)(C)C(=N[O])C(C)(C)C
InChIInChI=1S/C9H18NO/c1-8(2,3)7(10-11)9(4,5)6/h1-6H3
InChIKeySMFKRADJAKWWHU-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102062250?
The IUPAC name of CID 102062250 (CID 102062250) is not available.
What is the SMILES notation for CID 102062250?
The canonical SMILES for CID 102062250 is CC(C)(C)C(=N[O])C(C)(C)C.
What is the InChIKey of CID 102062250?
The InChIKey is SMFKRADJAKWWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c1-8(2,3)7(10-11)9(4,5)6/h1-6H3.
What are the key properties of CID 102062250?
CID 102062250 has a molecular weight of 156.25 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102062250 is sourced from PubChem (CID 102062250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).