(3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

C10H19NO — CID 11052064

IUPAC(3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESCC(C)[C@H]1CO[C@]2(C)CCCN12
InChIInChI=1S/C10H19NO/c1-8(2)9-7-12-10(3)5-4-6-11(9)10/h8-9H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyJZQYXDMVPAMQMV-NXEZZACHSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds1

About (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

(3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (PubChem CID 11052064) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
PubChem CID11052064
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESCC(C)[C@H]1CO[C@]2(C)CCCN12
InChIInChI=1S/C10H19NO/c1-8(2)9-7-12-10(3)5-4-6-11(9)10/h8-9H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyJZQYXDMVPAMQMV-NXEZZACHSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (CID 11052064) is (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is CC(C)[C@H]1CO[C@]2(C)CCCN12.
What is the InChIKey of (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The InChIKey is JZQYXDMVPAMQMV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9-7-12-10(3)5-4-6-11(9)10/h8-9H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
(3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole has a molecular weight of 169.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 11052064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).