2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone

C17H28N2O3 — CID 97365499

IUPAC2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)N1CCCC1
InChIInChI=1S/C17H28N2O3/c20-16(18-7-1-2-8-18)12-22-15-6-5-14-17(15)21-10-9-19(14)11-13-3-4-13/h13-15,17H,1-12H2/t14-,15+,17+/m0/s1
InChIKeySCNPUGOEHIISAH-ZMSDIMECSA-N
MW308.42 g/mol
LogP1.27
Rot. Bonds5

About 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone

2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone (PubChem CID 97365499) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
PubChem CID97365499
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)N1CCCC1
InChIInChI=1S/C17H28N2O3/c20-16(18-7-1-2-8-18)12-22-15-6-5-14-17(15)21-10-9-19(14)11-13-3-4-13/h13-15,17H,1-12H2/t14-,15+,17+/m0/s1
InChIKeySCNPUGOEHIISAH-ZMSDIMECSA-N
XLogP1.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone (CID 97365499) is 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone is O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)N1CCCC1.
What is the InChIKey of 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is SCNPUGOEHIISAH-ZMSDIMECSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16(18-7-1-2-8-18)12-22-15-6-5-14-17(15)21-10-9-19(14)11-13-3-4-13/h13-15,17H,1-12H2/t14-,15+,17+/m0/s1.
What are the key properties of 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 308.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,7R,7aR)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97365499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).