[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone

C21H26N2O3 — CID 46964895

IUPAC[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone
SMILESC=CCC1(CC=C)CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C
InChIInChI=1S/C21H26N2O3/c1-6-10-21(11-7-2)12-13-23(21)20(24)16-14-15-17(25-4)8-9-18(26-5)19(15)22(16)3/h6-9,14H,1-2,10-13H2,3-5H3
InChIKeyXSCDMYHOBRJFNT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.93
Rot. Bonds7

About [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone

[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone (PubChem CID 46964895) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone
PubChem CID46964895
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone
SMILESC=CCC1(CC=C)CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C
InChIInChI=1S/C21H26N2O3/c1-6-10-21(11-7-2)12-13-23(21)20(24)16-14-15-17(25-4)8-9-18(26-5)19(15)22(16)3/h6-9,14H,1-2,10-13H2,3-5H3
InChIKeyXSCDMYHOBRJFNT-UHFFFAOYSA-N
XLogP3.93
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone?
The IUPAC name of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone (CID 46964895) is [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone is C=CCC1(CC=C)CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C.
What is the InChIKey of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone?
The InChIKey is XSCDMYHOBRJFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-6-10-21(11-7-2)12-13-23(21)20(24)16-14-15-17(25-4)8-9-18(26-5)19(15)22(16)3/h6-9,14H,1-2,10-13H2,3-5H3.
What are the key properties of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone?
[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 46964895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).