butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide

C26H44N2O2 — CID 143778614

IUPACbutane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide
SMILESC=CC/C(C)=c1\c(=C)[nH]cc(C)c1=O.CC(C)C1CCCCC1NC=O.CCCC
InChIInChI=1S/C12H15NO.C10H19NO.C4H10/c1-5-6-8(2)11-10(4)13-7-9(3)12(11)14;1-8(2)9-5-3-4-6-10(9)11-7-12;1-3-4-2/h5,7,13H,1,4,6H2,2-3H3;7-10H,3-6H2,1-2H3,(H,11,12);3-4H2,1-2H3/b11-8+;;
InChIKeyGDTSKHZVIJDDSD-OHENRDTHSA-N
MW416.65 g/mol
LogP4.59
Rot. Bonds6

About butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide

butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide (PubChem CID 143778614) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide.

Molecular Properties

Compound Namebutane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide
PubChem CID143778614
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC Namebutane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide
SMILESC=CC/C(C)=c1\c(=C)[nH]cc(C)c1=O.CC(C)C1CCCCC1NC=O.CCCC
InChIInChI=1S/C12H15NO.C10H19NO.C4H10/c1-5-6-8(2)11-10(4)13-7-9(3)12(11)14;1-8(2)9-5-3-4-6-10(9)11-7-12;1-3-4-2/h5,7,13H,1,4,6H2,2-3H3;7-10H,3-6H2,1-2H3,(H,11,12);3-4H2,1-2H3/b11-8+;;
InChIKeyGDTSKHZVIJDDSD-OHENRDTHSA-N
XLogP4.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide?
The IUPAC name of butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide (CID 143778614) is butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide.
What is the SMILES notation for butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide?
The canonical SMILES for butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide is C=CC/C(C)=c1\c(=C)[nH]cc(C)c1=O.CC(C)C1CCCCC1NC=O.CCCC.
What is the InChIKey of butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide?
The InChIKey is GDTSKHZVIJDDSD-OHENRDTHSA-N. The full InChI is InChI=1S/C12H15NO.C10H19NO.C4H10/c1-5-6-8(2)11-10(4)13-7-9(3)12(11)14;1-8(2)9-5-3-4-6-10(9)11-7-12;1-3-4-2/h5,7,13H,1,4,6H2,2-3H3;7-10H,3-6H2,1-2H3,(H,11,12);3-4H2,1-2H3/b11-8+;;.
What are the key properties of butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide?
butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide has a molecular weight of 416.65 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one;N-(2-propan-2-ylcyclohexyl)formamide is sourced from PubChem (CID 143778614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).