(2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane

C14H29NO — CID 159311305

IUPAC(2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane
SMILESC=C(OCCCC)[C@@H]1CCCN1.CC(C)C
InChIInChI=1S/C10H19NO.C4H10/c1-3-4-8-12-9(2)10-6-5-7-11-10;1-4(2)3/h10-11H,2-8H2,1H3;4H,1-3H3/t10-;/m0./s1
InChIKeyLCOVAGFAZLIECA-PPHPATTJSA-N
MW227.39 g/mol
LogP3.73
Rot. Bonds5

About (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane

(2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane (PubChem CID 159311305) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane.

Molecular Properties

Compound Name(2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane
PubChem CID159311305
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane
SMILESC=C(OCCCC)[C@@H]1CCCN1.CC(C)C
InChIInChI=1S/C10H19NO.C4H10/c1-3-4-8-12-9(2)10-6-5-7-11-10;1-4(2)3/h10-11H,2-8H2,1H3;4H,1-3H3/t10-;/m0./s1
InChIKeyLCOVAGFAZLIECA-PPHPATTJSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
2-(1-Methoxyethenyl)pyrrolidine
CID 91128615
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 116145850
2-(1-Ethoxyethenyl)-1-propan-2-ylpyrrolidine
CID 118501499
(2S)-2-[1-(5,5-dimethylhexoxy)ethenyl]pyrrolidine
CID 118680736
4-Hex-5-enoxy-2-methylpyrrolidine
CID 123373294
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
2-ethoxy-N-hex-1-en-2-yl-4-methylpent-1-en-3-amine
CID 129043449
(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367671
(2R)-N-[[(2R)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367714
2-[(2-Methylpropan-2-yl)oxymethyl]-4-propan-2-ylidenepyrrolidine
CID 132133663

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane?
The IUPAC name of (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane (CID 159311305) is (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane.
What is the SMILES notation for (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane?
The canonical SMILES for (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane is C=C(OCCCC)[C@@H]1CCCN1.CC(C)C.
What is the InChIKey of (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane?
The InChIKey is LCOVAGFAZLIECA-PPHPATTJSA-N. The full InChI is InChI=1S/C10H19NO.C4H10/c1-3-4-8-12-9(2)10-6-5-7-11-10;1-4(2)3/h10-11H,2-8H2,1H3;4H,1-3H3/t10-;/m0./s1.
What are the key properties of (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane?
(2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane has a molecular weight of 227.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane is sourced from PubChem (CID 159311305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).