N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide

C17H25NO2 — CID 154968487

IUPACN-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide
SMILESC=C1/C=C(C(/C)=C\C)\C(NC=O)=C(\C)C(C)OCC1C
InChIInChI=1S/C17H25NO2/c1-7-11(2)16-8-12(3)13(4)9-20-15(6)14(5)17(16)18-10-19/h7-8,10,13,15H,3,9H2,1-2,4-6H3,(H,18,19)/b11-7-,16-8-,17-14+
InChIKeyKWPCRPWICASXDK-KHEOBWSKSA-N
MW275.39 g/mol
LogP3.51
Rot. Bonds3

About N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide

N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide (PubChem CID 154968487) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide.

Molecular Properties

Compound NameN-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide
PubChem CID154968487
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide
SMILESC=C1/C=C(C(/C)=C\C)\C(NC=O)=C(\C)C(C)OCC1C
InChIInChI=1S/C17H25NO2/c1-7-11(2)16-8-12(3)13(4)9-20-15(6)14(5)17(16)18-10-19/h7-8,10,13,15H,3,9H2,1-2,4-6H3,(H,18,19)/b11-7-,16-8-,17-14+
InChIKeyKWPCRPWICASXDK-KHEOBWSKSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide with MolForge

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Related Compounds

N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide
CID 143269538

Frequently Asked Questions

What is the IUPAC name of N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide?
The IUPAC name of N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide (CID 154968487) is N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide.
What is the SMILES notation for N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide?
The canonical SMILES for N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide is C=C1/C=C(C(/C)=C\C)\C(NC=O)=C(\C)C(C)OCC1C.
What is the InChIKey of N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide?
The InChIKey is KWPCRPWICASXDK-KHEOBWSKSA-N. The full InChI is InChI=1S/C17H25NO2/c1-7-11(2)16-8-12(3)13(4)9-20-15(6)14(5)17(16)18-10-19/h7-8,10,13,15H,3,9H2,1-2,4-6H3,(H,18,19)/b11-7-,16-8-,17-14+.
What are the key properties of N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide?
N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide has a molecular weight of 275.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide is sourced from PubChem (CID 154968487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).