N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine

C23H33FN2 — CID 144539637

IUPACN-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine
SMILESC=C/C=c1/[nH]cc(CCN(C)C23C=CC2CC(C)(CCC)C3)/c1=C/CF
InChIInChI=1S/C23H33FN2/c1-5-7-21-20(9-13-24)18(16-25-21)10-14-26(4)23-12-8-19(23)15-22(3,17-23)11-6-2/h5,7-9,12,16,19,25H,1,6,10-11,13-15,17H2,2-4H3/b20-9-,21-7+
InChIKeyUVYUEQJGQHXQAE-QEOSRJNASA-N
MW356.53 g/mol
LogP3.73
Rot. Bonds8

About N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine

N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine (PubChem CID 144539637) has the molecular formula C23H33FN2 and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine.

Molecular Properties

Compound NameN-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine
PubChem CID144539637
Molecular FormulaC23H33FN2
Molecular Weight356.53 g/mol
Exact Mass356.26
IUPAC NameN-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine
SMILESC=C/C=c1/[nH]cc(CCN(C)C23C=CC2CC(C)(CCC)C3)/c1=C/CF
InChIInChI=1S/C23H33FN2/c1-5-7-21-20(9-13-24)18(16-25-21)10-14-26(4)23-12-8-19(23)15-22(3,17-23)11-6-2/h5,7-9,12,16,19,25H,1,6,10-11,13-15,17H2,2-4H3/b20-9-,21-7+
InChIKeyUVYUEQJGQHXQAE-QEOSRJNASA-N
XLogP3.73
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine?
The IUPAC name of N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine (CID 144539637) is N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine.
What is the SMILES notation for N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine?
The canonical SMILES for N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine is C=C/C=c1/[nH]cc(CCN(C)C23C=CC2CC(C)(CCC)C3)/c1=C/CF.
What is the InChIKey of N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine?
The InChIKey is UVYUEQJGQHXQAE-QEOSRJNASA-N. The full InChI is InChI=1S/C23H33FN2/c1-5-7-21-20(9-13-24)18(16-25-21)10-14-26(4)23-12-8-19(23)15-22(3,17-23)11-6-2/h5,7-9,12,16,19,25H,1,6,10-11,13-15,17H2,2-4H3/b20-9-,21-7+.
What are the key properties of N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine?
N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine has a molecular weight of 356.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4Z,5E)-4-(2-fluoroethylidene)-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]-N,3-dimethyl-3-propylbicyclo[3.2.0]hept-6-en-1-amine is sourced from PubChem (CID 144539637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).