cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate

C19H23NO4 — CID 137462643

IUPACcyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
SMILESO=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OCC1CC1
InChIInChI=1S/C19H23NO4/c21-17(23-10-12-7-8-12)11-24-19(22)20-18-15-5-1-3-13(15)9-14-4-2-6-16(14)18/h9,12H,1-8,10-11H2,(H,20,22)
InChIKeyVQQQLIBFTHRIPF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.17
Rot. Bonds5

About cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate

cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate (PubChem CID 137462643) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
PubChem CID137462643
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namecyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
SMILESO=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OCC1CC1
InChIInChI=1S/C19H23NO4/c21-17(23-10-12-7-8-12)11-24-19(22)20-18-15-5-1-3-13(15)9-14-4-2-6-16(14)18/h9,12H,1-8,10-11H2,(H,20,22)
InChIKeyVQQQLIBFTHRIPF-UHFFFAOYSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The IUPAC name of cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate (CID 137462643) is cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate.
What is the SMILES notation for cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The canonical SMILES for cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate is O=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The InChIKey is VQQQLIBFTHRIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-17(23-10-12-7-8-12)11-24-19(22)20-18-15-5-1-3-13(15)9-14-4-2-6-16(14)18/h9,12H,1-8,10-11H2,(H,20,22).
What are the key properties of cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate has a molecular weight of 329.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate is sourced from PubChem (CID 137462643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).