ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate

C24H25NO3 — CID 10926893

IUPACethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc2c(c1)C=CC1(O2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C24H25NO3/c1-5-27-22(26)13-11-17-10-12-21-18(16-17)14-15-24(28-21)23(2,3)19-8-6-7-9-20(19)25(24)4/h6-16H,5H2,1-4H3/b13-11+
InChIKeyJGMAAOWKANBBGP-ACCUITESSA-N
MW375.47 g/mol
LogP4.79
Rot. Bonds3

About ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate

ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate (PubChem CID 10926893) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate
PubChem CID10926893
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Nameethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc2c(c1)C=CC1(O2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C24H25NO3/c1-5-27-22(26)13-11-17-10-12-21-18(16-17)14-15-24(28-21)23(2,3)19-8-6-7-9-20(19)25(24)4/h6-16H,5H2,1-4H3/b13-11+
InChIKeyJGMAAOWKANBBGP-ACCUITESSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enenitrile
CID 10758678
3-sulfanylpropyl 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carboxylate
CID 172523638
ethyl 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetate
CID 58298819
ethyl 5-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)pentanoate
CID 12039340
5'-chloro-1',3',3'-trimethyl-6-(2-nitroethenyl)spiro[chromene-2,2'-indole]
CID 54000738
2-[(2R)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethyl 2-methylprop-2-enoate;bis(sulfur trioxide);bis(2-[(2R)-3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethyl 2-methylprop-2-enoate)
CID 167590455
5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid
CID 89247321
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395
(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
CID 167695967
[(2R)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-8-yl]methyl 2-methylprop-2-enoate
CID 7327401
1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 3007719

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate (CID 10926893) is ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate is CCOC(=O)/C=C/c1ccc2c(c1)C=CC1(O2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate?
The InChIKey is JGMAAOWKANBBGP-ACCUITESSA-N. The full InChI is InChI=1S/C24H25NO3/c1-5-27-22(26)13-11-17-10-12-21-18(16-17)14-15-24(28-21)23(2,3)19-8-6-7-9-20(19)25(24)4/h6-16H,5H2,1-4H3/b13-11+.
What are the key properties of ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate?
ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate has a molecular weight of 375.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)prop-2-enoate is sourced from PubChem (CID 10926893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).