CID 59303846

C9H12N2O — CID 59303846

IUPAC—
SMILES[CH]C(=O)CN1CCC(C#N)CC1
InChIInChI=1S/C9H12N2O/c1-8(12)7-11-4-2-9(6-10)3-5-11/h1,9H,2-5,7H2
InChIKeySBMDAQORXORLTK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.50
Rot. Bonds2

About CID 59303846

CID 59303846 (PubChem CID 59303846) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol.

Molecular Properties

Compound NameCID 59303846
PubChem CID59303846
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name—
SMILES[CH]C(=O)CN1CCC(C#N)CC1
InChIInChI=1S/C9H12N2O/c1-8(12)7-11-4-2-9(6-10)3-5-11/h1,9H,2-5,7H2
InChIKeySBMDAQORXORLTK-UHFFFAOYSA-N
XLogP0.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59303846?
The IUPAC name of CID 59303846 (CID 59303846) is not available.
What is the SMILES notation for CID 59303846?
The canonical SMILES for CID 59303846 is [CH]C(=O)CN1CCC(C#N)CC1.
What is the InChIKey of CID 59303846?
The InChIKey is SBMDAQORXORLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(12)7-11-4-2-9(6-10)3-5-11/h1,9H,2-5,7H2.
What are the key properties of CID 59303846?
CID 59303846 has a molecular weight of 164.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303846 is sourced from PubChem (CID 59303846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).