4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C18H18N2O2 — CID 168585742

IUPAC4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3c(c2)CCC(C)(C)O3)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-11-8-14(15(10-19)17(21)20-11)12-4-5-16-13(9-12)6-7-18(2,3)22-16/h4-5,8-9H,6-7H2,1-3H3,(H,20,21)
InChIKeyHSRWDZLQLLENPS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.33
Rot. Bonds1

About 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585742) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585742
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3c(c2)CCC(C)(C)O3)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-11-8-14(15(10-19)17(21)20-11)12-4-5-16-13(9-12)6-7-18(2,3)22-16/h4-5,8-9H,6-7H2,1-3H3,(H,20,21)
InChIKeyHSRWDZLQLLENPS-UHFFFAOYSA-N
XLogP3.33
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585742) is 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc3c(c2)CCC(C)(C)O3)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HSRWDZLQLLENPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-8-14(15(10-19)17(21)20-11)12-4-5-16-13(9-12)6-7-18(2,3)22-16/h4-5,8-9H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 294.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).