ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate

C12H21NO2 — CID 10965812

IUPACethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate
SMILESCCCC(C)(C(=O)OCC)C1=NCCC1
InChIInChI=1S/C12H21NO2/c1-4-8-12(3,11(14)15-5-2)10-7-6-9-13-10/h4-9H2,1-3H3
InChIKeyDONAKCSZQLMGON-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.59
Rot. Bonds5

About ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate

ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate (PubChem CID 10965812) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate
PubChem CID10965812
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate
SMILESCCCC(C)(C(=O)OCC)C1=NCCC1
InChIInChI=1S/C12H21NO2/c1-4-8-12(3,11(14)15-5-2)10-7-6-9-13-10/h4-9H2,1-3H3
InChIKeyDONAKCSZQLMGON-UHFFFAOYSA-N
XLogP2.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2S)-2,4-dimethyl-3,4-dihydro-2H-pyrrol-5-yl]propanoate
CID 134858924
methyl 5-tert-butyl-3,4-dihydro-2H-pyrrole-3-carboxylate
CID 58468604
[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate
CID 70558842
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Ethyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 90901173
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351
Ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
CID 91391939
Ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
CID 123346858
Ethyl 6-(4-methylpentan-2-ylideneamino)hexanoate
CID 146535006
Butyl 6-(4-methylpentan-2-ylideneamino)hexanoate
CID 146535008
Ethyl 11-(4-methylpentan-2-ylideneamino)undecanoate
CID 146535009
Ethyl 2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine-4a-carboxylate
CID 170356925

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate (CID 10965812) is ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate is CCCC(C)(C(=O)OCC)C1=NCCC1.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate?
The InChIKey is DONAKCSZQLMGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-8-12(3,11(14)15-5-2)10-7-6-9-13-10/h4-9H2,1-3H3.
What are the key properties of ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate?
ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate has a molecular weight of 211.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpentanoate is sourced from PubChem (CID 10965812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).