N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide

C16H27FN2O — CID 143101764

IUPACN-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
SMILESC=CC/C(=C/CC)C(CCF)NC(=O)C1CCCN1C
InChIInChI=1S/C16H27FN2O/c1-4-7-13(8-5-2)14(10-11-17)18-16(20)15-9-6-12-19(15)3/h4,8,14-15H,1,5-7,9-12H2,2-3H3,(H,18,20)/b13-8-
InChIKeySYIDCXYTMJXNNF-JYRVWZFOSA-N
MW282.40 g/mol
LogP2.84
Rot. Bonds8

About N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide

N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 143101764) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
PubChem CID143101764
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC NameN-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
SMILESC=CC/C(=C/CC)C(CCF)NC(=O)C1CCCN1C
InChIInChI=1S/C16H27FN2O/c1-4-7-13(8-5-2)14(10-11-17)18-16(20)15-9-6-12-19(15)3/h4,8,14-15H,1,5-7,9-12H2,2-3H3,(H,18,20)/b13-8-
InChIKeySYIDCXYTMJXNNF-JYRVWZFOSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
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 N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide (CID 143101764) is N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide is C=CC/C(=C/CC)C(CCF)NC(=O)C1CCCN1C.
What is the InChIKey of N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is SYIDCXYTMJXNNF-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-7-13(8-5-2)14(10-11-17)18-16(20)15-9-6-12-19(15)3/h4,8,14-15H,1,5-7,9-12H2,2-3H3,(H,18,20)/b13-8-.
What are the key properties of N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide?
N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 282.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143101764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).