(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one

C16H20N2O2 — CID 7707922

IUPAC(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1ccc(N/C(C)=C\C(C)=O)cc1
InChIInChI=1S/C16H20N2O2/c1-11(9-13(3)19)17-15-5-7-16(8-6-15)18-12(2)10-14(4)20/h5-10,17-18H,1-4H3/b11-9-,12-10-
InChIKeyBKFZGPYKYSKSSQ-HWAYABPNSA-N
MW272.35 g/mol
LogP3.50
Rot. Bonds6

About (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one

(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one (PubChem CID 7707922) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
PubChem CID7707922
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1ccc(N/C(C)=C\C(C)=O)cc1
InChIInChI=1S/C16H20N2O2/c1-11(9-13(3)19)17-15-5-7-16(8-6-15)18-12(2)10-14(4)20/h5-10,17-18H,1-4H3/b11-9-,12-10-
InChIKeyBKFZGPYKYSKSSQ-HWAYABPNSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
(E)-3-anilinobut-2-enoic acid
CID 89350388
(E)-3-(4-bromoanilino)-N-(4-bromophenyl)but-2-enamide
CID 134835204
(Z)-3-(4-acetylanilino)but-2-enoic acid
CID 21432846
ethyl (E)-3-[4-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]anilino]but-2-enoate
CID 5379118
(E)-4-(3-benzoylanilino)pent-3-en-2-one
CID 5394267
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006
methyl (Z)-3-(4-cyanoanilino)but-2-enoate
CID 129354001
ethyl 3-[4-(ethoxycarbonylamino)anilino]but-2-enoate
CID 70457432
(Z)-4-anilinopent-3-en-2-one;(Z)-4-(2-methylanilino)pent-3-en-2-one;(Z)-4-(2,4,6-trimethylanilino)pent-3-en-2-one
CID 158115472
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
4-[[4-(4-bromophenyl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 1276376

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one?
The IUPAC name of (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one (CID 7707922) is (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one is CC(=O)/C=C(/C)Nc1ccc(N/C(C)=C\C(C)=O)cc1.
What is the InChIKey of (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one?
The InChIKey is BKFZGPYKYSKSSQ-HWAYABPNSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(9-13(3)19)17-15-5-7-16(8-6-15)18-12(2)10-14(4)20/h5-10,17-18H,1-4H3/b11-9-,12-10-.
What are the key properties of (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one?
(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one has a molecular weight of 272.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one is sourced from PubChem (CID 7707922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).