(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole

C10H19N — CID 14248778

IUPAC(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole
SMILESCC[C@@H]1N[C@H](CC)C(C)=C1C
InChIInChI=1S/C10H19N/c1-5-9-7(3)8(4)10(6-2)11-9/h9-11H,5-6H2,1-4H3/t9-,10+
InChIKeyDYBKDFYQXGVKCX-AOOOYVTPSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds2

About (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole

(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole (PubChem CID 14248778) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole
PubChem CID14248778
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole
SMILESCC[C@@H]1N[C@H](CC)C(C)=C1C
InChIInChI=1S/C10H19N/c1-5-9-7(3)8(4)10(6-2)11-9/h9-11H,5-6H2,1-4H3/t9-,10+
InChIKeyDYBKDFYQXGVKCX-AOOOYVTPSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 141815373
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CID 20850
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine
CID 164620837
(2E)-3,7-dimethyl-N-propan-2-ylocta-2,6-dien-1-amine
CID 177800730
6-Methyl-2-propylamino-5-heptene
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(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine
CID 146435947
2-[(E)-2-methylbut-1-enyl]pyrrolidine
CID 55300541
2-[(Z)-2-methylbut-1-enyl]pyrrolidine
CID 134994044
(2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole
CID 14248784
N-butyl-6-methylhept-5-en-2-amine
CID 44725864
2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole
CID 14248782
(4Z)-N-ethyl-5,9-dimethyldeca-4,8-dien-2-amine
CID 18398272

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole (CID 14248778) is (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole is CC[C@@H]1N[C@H](CC)C(C)=C1C.
What is the InChIKey of (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole?
The InChIKey is DYBKDFYQXGVKCX-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H19N/c1-5-9-7(3)8(4)10(6-2)11-9/h9-11H,5-6H2,1-4H3/t9-,10+.
What are the key properties of (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole?
(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 14248778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).