2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide

C18H25FN2O — CID 146537233

IUPAC2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide
SMILESC=C(C)C(C)NC(=O)C1CC1/C1=C/NC(C)/C=C\C(F)=C/C1
InChIInChI=1S/C18H25FN2O/c1-11(2)13(4)21-18(22)17-9-16(17)14-6-8-15(19)7-5-12(3)20-10-14/h5,7-8,10,12-13,16-17,20H,1,6,9H2,2-4H3,(H,21,22)/b7-5-,14-10+,15-8+
InChIKeyUUPZQQHEZDWRAT-MCDLMYHASA-N
MW304.41 g/mol
LogP3.38
Rot. Bonds4

About 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide

2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide (PubChem CID 146537233) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide
PubChem CID146537233
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide
SMILESC=C(C)C(C)NC(=O)C1CC1/C1=C/NC(C)/C=C\C(F)=C/C1
InChIInChI=1S/C18H25FN2O/c1-11(2)13(4)21-18(22)17-9-16(17)14-6-8-15(19)7-5-12(3)20-10-14/h5,7-8,10,12-13,16-17,20H,1,6,9H2,2-4H3,(H,21,22)/b7-5-,14-10+,15-8+
InChIKeyUUPZQQHEZDWRAT-MCDLMYHASA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.38
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-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide (CID 146537233) is 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide is C=C(C)C(C)NC(=O)C1CC1/C1=C/NC(C)/C=C\C(F)=C/C1.
What is the InChIKey of 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UUPZQQHEZDWRAT-MCDLMYHASA-N. The full InChI is InChI=1S/C18H25FN2O/c1-11(2)13(4)21-18(22)17-9-16(17)14-6-8-15(19)7-5-12(3)20-10-14/h5,7-8,10,12-13,16-17,20H,1,6,9H2,2-4H3,(H,21,22)/b7-5-,14-10+,15-8+.
What are the key properties of 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide?
2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146537233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).