(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione

C15H18N2O2 — CID 143345002

IUPAC(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione
SMILESCCc1ccc2c(c1)N(/C=C(\N)C(=O)C(C)=O)CC2
InChIInChI=1S/C15H18N2O2/c1-3-11-4-5-12-6-7-17(14(12)8-11)9-13(16)15(19)10(2)18/h4-5,8-9H,3,6-7,16H2,1-2H3/b13-9-
InChIKeyMKUNVLGGNIZJQD-LCYFTJDESA-N
MW258.32 g/mol
LogP1.57
Rot. Bonds4

About (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione

(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione (PubChem CID 143345002) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione.

Molecular Properties

Compound Name(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione
PubChem CID143345002
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione
SMILESCCc1ccc2c(c1)N(/C=C(\N)C(=O)C(C)=O)CC2
InChIInChI=1S/C15H18N2O2/c1-3-11-4-5-12-6-7-17(14(12)8-11)9-13(16)15(19)10(2)18/h4-5,8-9H,3,6-7,16H2,1-2H3/b13-9-
InChIKeyMKUNVLGGNIZJQD-LCYFTJDESA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
(Z)-4-amino-5-(5-ethyl-1,3-dihydroisoindol-2-yl)hex-4-ene-2,3-dione
CID 143347219
2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 143343022
(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione
CID 143342382
1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one
CID 115105745
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane
CID 143342381
3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane
CID 143345561
(Z)-4-amino-3-(5-ethyl-1,3-dihydroisoindol-2-yl)-2-oxopent-3-enal
CID 143272665
3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105873
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione?
The IUPAC name of (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione (CID 143345002) is (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione.
What is the SMILES notation for (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione?
The canonical SMILES for (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione is CCc1ccc2c(c1)N(/C=C(\N)C(=O)C(C)=O)CC2.
What is the InChIKey of (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione?
The InChIKey is MKUNVLGGNIZJQD-LCYFTJDESA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11-4-5-12-6-7-17(14(12)8-11)9-13(16)15(19)10(2)18/h4-5,8-9H,3,6-7,16H2,1-2H3/b13-9-.
What are the key properties of (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione?
(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione is sourced from PubChem (CID 143345002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).