1-[(2S)-1-methoxypropan-2-yl]pyrrole

C8H13NO — CID 2100736

IUPAC1-[(2S)-1-methoxypropan-2-yl]pyrrole
SMILESCOC[C@H](C)n1cccc1
InChIInChI=1S/C8H13NO/c1-8(7-10-2)9-5-3-4-6-9/h3-6,8H,7H2,1-2H3/t8-/m0/s1
InChIKeyVSWHCGUKHPUWGJ-QMMMGPOBSA-N
MW139.20 g/mol
LogP1.70
Rot. Bonds3

About 1-[(2S)-1-methoxypropan-2-yl]pyrrole

1-[(2S)-1-methoxypropan-2-yl]pyrrole (PubChem CID 2100736) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]pyrrole.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]pyrrole
PubChem CID2100736
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]pyrrole
SMILESCOC[C@H](C)n1cccc1
InChIInChI=1S/C8H13NO/c1-8(7-10-2)9-5-3-4-6-9/h3-6,8H,7H2,1-2H3/t8-/m0/s1
InChIKeyVSWHCGUKHPUWGJ-QMMMGPOBSA-N
XLogP1.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]pyrrole?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]pyrrole (CID 2100736) is 1-[(2S)-1-methoxypropan-2-yl]pyrrole.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]pyrrole?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]pyrrole is COC[C@H](C)n1cccc1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]pyrrole?
The InChIKey is VSWHCGUKHPUWGJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(7-10-2)9-5-3-4-6-9/h3-6,8H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]pyrrole?
1-[(2S)-1-methoxypropan-2-yl]pyrrole has a molecular weight of 139.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]pyrrole is sourced from PubChem (CID 2100736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).