2-methylprop-1-ene;bis(1H-pyridin-2-one)

C14H18N2O2 — CID 142379705

IUPAC2-methylprop-1-ene;bis(1H-pyridin-2-one)
SMILESC=C(C)C.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/2C5H5NO.C4H8/c2*7-5-3-1-2-4-6-5;1-4(2)3/h2*1-4H,(H,6,7);1H2,2-3H3
InChIKeyDKVXVVOACISHOY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds

About 2-methylprop-1-ene;bis(1H-pyridin-2-one)

2-methylprop-1-ene;bis(1H-pyridin-2-one) (PubChem CID 142379705) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methylprop-1-ene;bis(1H-pyridin-2-one).

Molecular Properties

Compound Name2-methylprop-1-ene;bis(1H-pyridin-2-one)
PubChem CID142379705
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methylprop-1-ene;bis(1H-pyridin-2-one)
SMILESC=C(C)C.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/2C5H5NO.C4H8/c2*7-5-3-1-2-4-6-5;1-4(2)3/h2*1-4H,(H,6,7);1H2,2-3H3
InChIKeyDKVXVVOACISHOY-UHFFFAOYSA-N
XLogP2.33
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;bis(1H-pyridin-2-one)?
The IUPAC name of 2-methylprop-1-ene;bis(1H-pyridin-2-one) (CID 142379705) is 2-methylprop-1-ene;bis(1H-pyridin-2-one).
What is the SMILES notation for 2-methylprop-1-ene;bis(1H-pyridin-2-one)?
The canonical SMILES for 2-methylprop-1-ene;bis(1H-pyridin-2-one) is C=C(C)C.O=c1cccc[nH]1.O=c1cccc[nH]1.
What is the InChIKey of 2-methylprop-1-ene;bis(1H-pyridin-2-one)?
The InChIKey is DKVXVVOACISHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NO.C4H8/c2*7-5-3-1-2-4-6-5;1-4(2)3/h2*1-4H,(H,6,7);1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;bis(1H-pyridin-2-one)?
2-methylprop-1-ene;bis(1H-pyridin-2-one) has a molecular weight of 246.31 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;bis(1H-pyridin-2-one) is sourced from PubChem (CID 142379705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).