(Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid

C17H13NO3 — CID 5356052

IUPAC(Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C17H13NO3/c19-15(8-9-16(20)21)18-14-7-3-5-12-10-11-4-1-2-6-13(11)17(12)14/h1-9H,10H2,(H,18,19)(H,20,21)/b9-8-
InChIKeyVTUFNVOANFWPPO-HJWRWDBZSA-N
MW279.30 g/mol
LogP2.84
Rot. Bonds3

About (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid

(Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid (PubChem CID 5356052) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid
PubChem CID5356052
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C17H13NO3/c19-15(8-9-16(20)21)18-14-7-3-5-12-10-11-4-1-2-6-13(11)17(12)14/h1-9H,10H2,(H,18,19)(H,20,21)/b9-8-
InChIKeyVTUFNVOANFWPPO-HJWRWDBZSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.84
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

4-[2-[2-(3-carboxyprop-2-enoylamino)phenyl]anilino]-4-oxobut-2-enoic acid
CID 1068901
(E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
CID 717763
N-(9H-fluoren-4-yl)-2-sulfanylacetamide
CID 25258057
3-bromo-N-(9H-fluoren-4-yl)propanamide
CID 90120399
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
(Z)-4-(2-acetylanilino)-4-oxobut-2-enoic acid
CID 6364927
(E)-4-[2-(dimethylamino)anilino]-4-oxobut-2-enoic acid
CID 60940677
4-oxo-4-(2-sulfoanilino)but-2-enoic acid
CID 54030607
3-[[(E)-3-carboxyprop-2-enoyl]amino]-2-methylbenzoic acid
CID 54868437
4-oxo-4-(2-prop-1-en-2-ylanilino)but-2-enoic acid
CID 54218562
(E)-4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid
CID 2143440
(Z)-4-[2-[(Z)-but-2-en-2-yl]anilino]-4-oxobut-2-enoic acid
CID 70492143

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid (CID 5356052) is (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)Nc1cccc2c1-c1ccccc1C2.
What is the InChIKey of (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid?
The InChIKey is VTUFNVOANFWPPO-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15(8-9-16(20)21)18-14-7-3-5-12-10-11-4-1-2-6-13(11)17(12)14/h1-9H,10H2,(H,18,19)(H,20,21)/b9-8-.
What are the key properties of (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid?
(Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid has a molecular weight of 279.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(9H-fluoren-4-ylamino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 5356052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).