N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide

C14H21FN2O — CID 153350983

IUPACN-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide
SMILESC=C(C)/C(F)=C(\C=C/C)CNC(=O)C1CCCN1
InChIInChI=1S/C14H21FN2O/c1-4-6-11(13(15)10(2)3)9-17-14(18)12-7-5-8-16-12/h4,6,12,16H,2,5,7-9H2,1,3H3,(H,17,18)/b6-4-,13-11-
InChIKeyPRRUGQDJIDJQSQ-NHDWVQLVSA-N
MW252.33 g/mol
LogP2.23
Rot. Bonds5

About N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide

N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide (PubChem CID 153350983) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide
PubChem CID153350983
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide
SMILESC=C(C)/C(F)=C(\C=C/C)CNC(=O)C1CCCN1
InChIInChI=1S/C14H21FN2O/c1-4-6-11(13(15)10(2)3)9-17-14(18)12-7-5-8-16-12/h4,6,12,16H,2,5,7-9H2,1,3H3,(H,17,18)/b6-4-,13-11-
InChIKeyPRRUGQDJIDJQSQ-NHDWVQLVSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide (CID 153350983) is N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide is C=C(C)/C(F)=C(\C=C/C)CNC(=O)C1CCCN1.
What is the InChIKey of N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide?
The InChIKey is PRRUGQDJIDJQSQ-NHDWVQLVSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-6-11(13(15)10(2)3)9-17-14(18)12-7-5-8-16-12/h4,6,12,16H,2,5,7-9H2,1,3H3,(H,17,18)/b6-4-,13-11-.
What are the key properties of N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide?
N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide has a molecular weight of 252.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 153350983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).