(Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one

C19H16N2O — CID 162402457

IUPAC(Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one
SMILESN/C(=C\C(=O)c1ccccc1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H16N2O/c20-16(13-19(22)15-9-5-2-6-10-15)18-12-11-17(21-18)14-7-3-1-4-8-14/h1-13,21H,20H2/b16-13-
InChIKeyRNDAQZFCFUBUSF-SSZFMOIBSA-N
MW288.35 g/mol
LogP3.86
Rot. Bonds4

About (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one

(Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one (PubChem CID 162402457) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one
PubChem CID162402457
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one
SMILESN/C(=C\C(=O)c1ccccc1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H16N2O/c20-16(13-19(22)15-9-5-2-6-10-15)18-12-11-17(21-18)14-7-3-1-4-8-14/h1-13,21H,20H2/b16-13-
InChIKeyRNDAQZFCFUBUSF-SSZFMOIBSA-N
XLogP3.86
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
sodium;3-amino-1-phenylbut-2-en-1-one;hydride
CID 173426072
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
3-amino-4,4,4-trichloro-1-phenylbut-2-en-1-one
CID 67682583

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one (CID 162402457) is (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one is N/C(=C\C(=O)c1ccccc1)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one?
The InChIKey is RNDAQZFCFUBUSF-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H16N2O/c20-16(13-19(22)15-9-5-2-6-10-15)18-12-11-17(21-18)14-7-3-1-4-8-14/h1-13,21H,20H2/b16-13-.
What are the key properties of (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one?
(Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one has a molecular weight of 288.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 162402457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).