5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one

C19H24N2O — CID 139356720

IUPAC5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one
SMILESCCC/C(=N\C1=CC=CC(C)C=C1C)c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C19H24N2O/c1-5-7-18(16-11-15(4)19(22)20-12-16)21-17-9-6-8-13(2)10-14(17)3/h6,8-13H,5,7H2,1-4H3,(H,20,22)/b21-18+
InChIKeyQYRLVRUASNKIIP-DYTRJAOYSA-N
MW296.41 g/mol
LogP4.31
Rot. Bonds4

About 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one

5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one (PubChem CID 139356720) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one
PubChem CID139356720
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one
SMILESCCC/C(=N\C1=CC=CC(C)C=C1C)c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C19H24N2O/c1-5-7-18(16-11-15(4)19(22)20-12-16)21-17-9-6-8-13(2)10-14(17)3/h6,8-13H,5,7H2,1-4H3,(H,20,22)/b21-18+
InChIKeyQYRLVRUASNKIIP-DYTRJAOYSA-N
XLogP4.31
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one (CID 139356720) is 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one is CCC/C(=N\C1=CC=CC(C)C=C1C)c1c[nH]c(=O)c(C)c1.
What is the InChIKey of 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is QYRLVRUASNKIIP-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-7-18(16-11-15(4)19(22)20-12-16)21-17-9-6-8-13(2)10-14(17)3/h6,8-13H,5,7H2,1-4H3,(H,20,22)/b21-18+.
What are the key properties of 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one?
5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 296.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-C-propylcarbonimidoyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 139356720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).