CID 59173250

C9H10NO — CID 59173250

IUPAC—
SMILESC/C=C1/C(=O)N2C(C)=C[CH][C@H]12
InChIInChI=1S/C9H10NO/c1-3-7-8-5-4-6(2)10(8)9(7)11/h3-5,8H,1-2H3/b7-3+/t8-/m1/s1
InChIKeyXUUQJBYJSHRWOO-HOOMWESVSA-N
MW148.18 g/mol
LogP1.27
Rot. Bonds

About CID 59173250

CID 59173250 (PubChem CID 59173250) has the molecular formula C9H10NO and a molecular weight of 148.18 g/mol.

Molecular Properties

Compound NameCID 59173250
PubChem CID59173250
Molecular FormulaC9H10NO
Molecular Weight148.18 g/mol
Exact Mass148.08
IUPAC Name—
SMILESC/C=C1/C(=O)N2C(C)=C[CH][C@H]12
InChIInChI=1S/C9H10NO/c1-3-7-8-5-4-6(2)10(8)9(7)11/h3-5,8H,1-2H3/b7-3+/t8-/m1/s1
InChIKeyXUUQJBYJSHRWOO-HOOMWESVSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59173250?
The IUPAC name of CID 59173250 (CID 59173250) is not available.
What is the SMILES notation for CID 59173250?
The canonical SMILES for CID 59173250 is C/C=C1/C(=O)N2C(C)=C[CH][C@H]12.
What is the InChIKey of CID 59173250?
The InChIKey is XUUQJBYJSHRWOO-HOOMWESVSA-N. The full InChI is InChI=1S/C9H10NO/c1-3-7-8-5-4-6(2)10(8)9(7)11/h3-5,8H,1-2H3/b7-3+/t8-/m1/s1.
What are the key properties of CID 59173250?
CID 59173250 has a molecular weight of 148.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59173250 is sourced from PubChem (CID 59173250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).