(3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine

C14H25NO — CID 70880743

IUPAC(3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine
SMILESCCCCO[C@@H]1CCN(C2=CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-2-3-11-16-14-9-10-15(12-14)13-7-5-4-6-8-13/h7,14H,2-6,8-12H2,1H3/t14-/m1/s1
InChIKeyMXIMQBOIUMWCSF-CQSZACIVSA-N
MW223.36 g/mol
LogP3.34
Rot. Bonds5

About (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine

(3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine (PubChem CID 70880743) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine
PubChem CID70880743
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine
SMILESCCCCO[C@@H]1CCN(C2=CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-2-3-11-16-14-9-10-15(12-14)13-7-5-4-6-8-13/h7,14H,2-6,8-12H2,1H3/t14-/m1/s1
InChIKeyMXIMQBOIUMWCSF-CQSZACIVSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine?
The IUPAC name of (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine (CID 70880743) is (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine?
The canonical SMILES for (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine is CCCCO[C@@H]1CCN(C2=CCCCC2)C1.
What is the InChIKey of (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine?
The InChIKey is MXIMQBOIUMWCSF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-11-16-14-9-10-15(12-14)13-7-5-4-6-8-13/h7,14H,2-6,8-12H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine?
(3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butoxy-1-(cyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 70880743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).