methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate

C15H27NO2 — CID 10879623

IUPACmethyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCCCCCCCC[C@@H]1CC=CN1C(=O)OC
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-7-8-9-11-14-12-10-13-16(14)15(17)18-2/h10,13-14H,3-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyLMVDPQZZRDXCIW-CQSZACIVSA-N
MW253.39 g/mol
LogP4.48
Rot. Bonds8

About methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate

methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 10879623) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID10879623
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCCCCCCCC[C@@H]1CC=CN1C(=O)OC
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-7-8-9-11-14-12-10-13-16(14)15(17)18-2/h10,13-14H,3-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyLMVDPQZZRDXCIW-CQSZACIVSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 85420103
Methyl (2R)-2-ethyl-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 10909797
methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 11160406
methyl (2S)-2-(cyclohexen-1-yl)-2,3-dihydropyrrole-1-carboxylate
CID 11229536
Methyl 2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11745282
Methyl 2-(but-3-en-1-yl)pyrrolidine-1-carboxylate
CID 12064730
methyl 2-methyl-3,4-dihydro-1(2H)-pyridinecarboxylate
CID 12896507
ethyl 2-ethyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 13757154
Methyl 2-ethyl-3,4-dihydropyridine-1(2H)-carboxylate
CID 13861726
methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate
CID 14659530
methyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 45090207
Methyl 2-butyl-6-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 71425322

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate (CID 10879623) is methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate is CCCCCCCCC[C@@H]1CC=CN1C(=O)OC.
What is the InChIKey of methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is LMVDPQZZRDXCIW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-4-5-6-7-8-9-11-14-12-10-13-16(14)15(17)18-2/h10,13-14H,3-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate?
methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 10879623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).