(3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one

C19H15NO4 — CID 2190211

IUPAC(3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one
SMILESC#CCN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccco2)c2ccccc21
InChIInChI=1S/C19H15NO4/c1-2-11-20-17-8-4-3-7-16(17)19(23,18(20)22)13-14(21)9-10-15-6-5-12-24-15/h1,3-10,12,23H,11,13H2/b10-9-/t19-/m1/s1
InChIKeyCTDMJCVOLHIQFS-ZBTAVZRMSA-N
MW321.33 g/mol
LogP2.12
Rot. Bonds5

About (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one

(3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one (PubChem CID 2190211) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one.

Molecular Properties

Compound Name(3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one
PubChem CID2190211
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one
SMILESC#CCN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccco2)c2ccccc21
InChIInChI=1S/C19H15NO4/c1-2-11-20-17-8-4-3-7-16(17)19(23,18(20)22)13-14(21)9-10-15-6-5-12-24-15/h1,3-10,12,23H,11,13H2/b10-9-/t19-/m1/s1
InChIKeyCTDMJCVOLHIQFS-ZBTAVZRMSA-N
XLogP2.12
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-hydroxy-3-[(Z)-2-oxo-4-phenylbut-3-enyl]-1-prop-2-ynylindol-2-one
CID 44784660
1-[(2-chlorophenyl)methyl]-3-[4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one
CID 2915076
(3R)-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-methylindol-2-one
CID 703155
3-[4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-methylindol-2-one
CID 2924778
(3S)-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 40853253
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 2938960
(3R)-1-benzyl-5-chloro-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one
CID 98242137
(3S)-5-bromo-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-propylindol-2-one
CID 7280050
(3S)-5-bromo-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 7280426
(3S)-5-chloro-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 92997731
3-hydroxy-3-prop-2-enyl-1-prop-2-ynylindol-2-one
CID 162398841
3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one
CID 2898172

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The IUPAC name of (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one (CID 2190211) is (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one.
What is the SMILES notation for (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The canonical SMILES for (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one is C#CCN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccco2)c2ccccc21.
What is the InChIKey of (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The InChIKey is CTDMJCVOLHIQFS-ZBTAVZRMSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-11-20-17-8-4-3-7-16(17)19(23,18(20)22)13-14(21)9-10-15-6-5-12-24-15/h1,3-10,12,23H,11,13H2/b10-9-/t19-/m1/s1.
What are the key properties of (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
(3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one has a molecular weight of 321.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(Z)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one is sourced from PubChem (CID 2190211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).