ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate

C18H21NO4 — CID 11483877

IUPACethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate
SMILESCCOC(=O)Cn1c2c(c3ccccc31)CC1(CC2)OCCO1
InChIInChI=1S/C18H21NO4/c1-2-21-17(20)12-19-15-6-4-3-5-13(15)14-11-18(8-7-16(14)19)22-9-10-23-18/h3-6H,2,7-12H2,1H3
InChIKeyRXUIJPYBRBLVND-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.44
Rot. Bonds3

About ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate

ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate (PubChem CID 11483877) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate.

Molecular Properties

Compound Nameethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate
PubChem CID11483877
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate
SMILESCCOC(=O)Cn1c2c(c3ccccc31)CC1(CC2)OCCO1
InChIInChI=1S/C18H21NO4/c1-2-21-17(20)12-19-15-6-4-3-5-13(15)14-11-18(8-7-16(14)19)22-9-10-23-18/h3-6H,2,7-12H2,1H3
InChIKeyRXUIJPYBRBLVND-UHFFFAOYSA-N
XLogP2.44
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-methylsulfonyloxy-1,2,3,4-tetrahydrocarbazol-9-yl)acetate
CID 59487227
ethyl 2-[(3R)-3-(benzylcarbamoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
CID 123158809
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
CID 91140939
methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate
CID 10757708
ethyl 2-[(3R)-3-[(2-thiophen-2-ylacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
CID 123944472
ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate
CID 25019202
ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate;hydrochloride
CID 146061136
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
ethyl 2-(7-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetate;hydrochloride
CID 86614329
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114

Frequently Asked Questions

What is the IUPAC name of ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate?
The IUPAC name of ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate (CID 11483877) is ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate.
What is the SMILES notation for ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate?
The canonical SMILES for ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate is CCOC(=O)Cn1c2c(c3ccccc31)CC1(CC2)OCCO1.
What is the InChIKey of ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate?
The InChIKey is RXUIJPYBRBLVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-21-17(20)12-19-15-6-4-3-5-13(15)14-11-18(8-7-16(14)19)22-9-10-23-18/h3-6H,2,7-12H2,1H3.
What are the key properties of ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate?
ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate has a molecular weight of 315.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-spiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-ylacetate is sourced from PubChem (CID 11483877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).