(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one

C23H23NO2 — CID 177475501

IUPAC(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one
SMILESCC(=O)/C=C\c1ccc2c(c1)C=CC1(O2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H23NO2/c1-16(25)9-10-17-11-12-21-18(15-17)13-14-23(26-21)22(2,3)19-7-5-6-8-20(19)24(23)4/h5-15H,1-4H3/b10-9-
InChIKeyACCJZUSKWYNVRT-KTKRTIGZSA-N
MW345.44 g/mol
LogP4.82
Rot. Bonds2

About (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one

(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one (PubChem CID 177475501) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one
PubChem CID177475501
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one
SMILESCC(=O)/C=C\c1ccc2c(c1)C=CC1(O2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H23NO2/c1-16(25)9-10-17-11-12-21-18(15-17)13-14-23(26-21)22(2,3)19-7-5-6-8-20(19)24(23)4/h5-15H,1-4H3/b10-9-
InChIKeyACCJZUSKWYNVRT-KTKRTIGZSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate
CID 10926893
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
(E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enenitrile
CID 10758678
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
CID 170091928
1,7,7-trimethyl-3-[(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)methylidene]bicyclo[2.2.1]heptan-2-one
CID 162355667
3-sulfanylpropyl 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carboxylate
CID 172523638
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631
5'-chloro-1',3',3'-trimethyl-6-(2-nitroethenyl)spiro[chromene-2,2'-indole]
CID 54000738
(Z)-3-(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)prop-2-enal
CID 177452266
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
8-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 5182854

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one?
The IUPAC name of (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one (CID 177475501) is (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one?
The canonical SMILES for (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one is CC(=O)/C=C\c1ccc2c(c1)C=CC1(O2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one?
The InChIKey is ACCJZUSKWYNVRT-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H23NO2/c1-16(25)9-10-17-11-12-21-18(15-17)13-14-23(26-21)22(2,3)19-7-5-6-8-20(19)24(23)4/h5-15H,1-4H3/b10-9-.
What are the key properties of (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one?
(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one has a molecular weight of 345.44 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one is sourced from PubChem (CID 177475501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).