(7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine

C10H20N2O — CID 141470042

IUPAC(7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine
SMILESCC[C@@H]1C(N)CN2[C@@H]1COC2(C)C
InChIInChI=1S/C10H20N2O/c1-4-7-8(11)5-12-9(7)6-13-10(12,2)3/h7-9H,4-6,11H2,1-3H3/t7-,8?,9-/m1/s1
InChIKeyKANSJNBBLOFMSY-PSGOWDBMSA-N
MW184.28 g/mol
LogP0.79
Rot. Bonds1

About (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine

(7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine (PubChem CID 141470042) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine.

Molecular Properties

Compound Name(7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine
PubChem CID141470042
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine
SMILESCC[C@@H]1C(N)CN2[C@@H]1COC2(C)C
InChIInChI=1S/C10H20N2O/c1-4-7-8(11)5-12-9(7)6-13-10(12,2)3/h7-9H,4-6,11H2,1-3H3/t7-,8?,9-/m1/s1
InChIKeyKANSJNBBLOFMSY-PSGOWDBMSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine?
The IUPAC name of (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine (CID 141470042) is (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine.
What is the SMILES notation for (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine?
The canonical SMILES for (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine is CC[C@@H]1C(N)CN2[C@@H]1COC2(C)C.
What is the InChIKey of (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine?
The InChIKey is KANSJNBBLOFMSY-PSGOWDBMSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-7-8(11)5-12-9(7)6-13-10(12,2)3/h7-9H,4-6,11H2,1-3H3/t7-,8?,9-/m1/s1.
What are the key properties of (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine?
(7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine has a molecular weight of 184.28 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aS)-7-ethyl-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-amine is sourced from PubChem (CID 141470042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).