(3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine

C23H28N2 — CID 142118466

IUPAC(3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine
SMILESC=CC1=C(/C=C(\C)NC(=C)/C=C\C=C/CC)CN(c2ccccc2)C1
InChIInChI=1S/C23H28N2/c1-5-7-8-10-13-19(3)24-20(4)16-22-18-25(17-21(22)6-2)23-14-11-9-12-15-23/h6-16,24H,2-3,5,17-18H2,1,4H3/b8-7-,13-10-,20-16+
InChIKeyANSDSLLCPVBFNB-HCYBEICKSA-N
MW332.49 g/mol
LogP5.52
Rot. Bonds8

About (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine

(3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine (PubChem CID 142118466) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine
PubChem CID142118466
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine
SMILESC=CC1=C(/C=C(\C)NC(=C)/C=C\C=C/CC)CN(c2ccccc2)C1
InChIInChI=1S/C23H28N2/c1-5-7-8-10-13-19(3)24-20(4)16-22-18-25(17-21(22)6-2)23-14-11-9-12-15-23/h6-16,24H,2-3,5,17-18H2,1,4H3/b8-7-,13-10-,20-16+
InChIKeyANSDSLLCPVBFNB-HCYBEICKSA-N
XLogP5.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine with MolForge

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Related Compounds

benzylsulfanyl-[(3Z,5Z)-2-methylideneocta-3,5-dienyl]sulfanylmethanethione
CID 166968854
hex-3-en-2-one;styrene
CID 159171709
(2E,4Z)-1-(2-ethenylphenyl)hepta-2,4-dien-1-one
CID 139259989
ethane;methanol;[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
CID 145162668
1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole
CID 89067951
[(2E,4Z)-hepta-2,4-dien-2-yl]-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-phenylsulfanium
CID 143451215
ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
CID 142957611
(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine
CID 134182642
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
butane;2-methylbuta-1,3-diene;styrene
CID 161435264
benzene;(3E)-hexa-1,3-diene
CID 173449950
4-[3-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-1-yl]benzaldehyde
CID 144636370

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine (CID 142118466) is (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine is C=CC1=C(/C=C(\C)NC(=C)/C=C\C=C/CC)CN(c2ccccc2)C1.
What is the InChIKey of (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine?
The InChIKey is ANSDSLLCPVBFNB-HCYBEICKSA-N. The full InChI is InChI=1S/C23H28N2/c1-5-7-8-10-13-19(3)24-20(4)16-22-18-25(17-21(22)6-2)23-14-11-9-12-15-23/h6-16,24H,2-3,5,17-18H2,1,4H3/b8-7-,13-10-,20-16+.
What are the key properties of (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine?
(3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine has a molecular weight of 332.49 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(E)-1-(4-ethenyl-1-phenyl-2,5-dihydropyrrol-3-yl)prop-1-en-2-yl]octa-1,3,5-trien-2-amine is sourced from PubChem (CID 142118466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).