N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

C18H18N4O3 — CID 78835511

IUPACN'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(C=Cc1ccc(N2CCCC2=O)cc1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C18H18N4O3/c23-16(20-21-18(25)15-3-1-11-19-15)10-7-13-5-8-14(9-6-13)22-12-2-4-17(22)24/h1,3,5-11,19H,2,4,12H2,(H,20,23)(H,21,25)
InChIKeyZQUVDRDNSNTXTM-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.62
Rot. Bonds4

About N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78835511) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78835511
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(C=Cc1ccc(N2CCCC2=O)cc1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C18H18N4O3/c23-16(20-21-18(25)15-3-1-11-19-15)10-7-13-5-8-14(9-6-13)22-12-2-4-17(22)24/h1,3,5-11,19H,2,4,12H2,(H,20,23)(H,21,25)
InChIKeyZQUVDRDNSNTXTM-UHFFFAOYSA-N
XLogP1.62
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-phenylmethoxyprop-2-enamide
CID 25490304
(E)-N-(2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17439134
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
(E)-3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 18923208
(E)-N-(2-methylsulfonylethyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60573919
4-[(E)-3-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-1-enyl]benzoic acid
CID 7571772
(E)-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26071315
(Z)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 94161781
N-(2-acetamido-4,5-difluorophenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 76879492
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 46566075
methyl (2S)-2-methyl-2-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]butanoate
CID 94798080

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide (CID 78835511) is N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide is O=C(C=Cc1ccc(N2CCCC2=O)cc1)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is ZQUVDRDNSNTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-16(20-21-18(25)15-3-1-11-19-15)10-7-13-5-8-14(9-6-13)22-12-2-4-17(22)24/h1,3,5-11,19H,2,4,12H2,(H,20,23)(H,21,25).
What are the key properties of N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 338.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78835511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).