2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine

C14H20N2O — CID 110203401

IUPAC2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine
SMILESc1ccc([C@@H]2CNC[C@H]2COCC2CC2)nc1
InChIInChI=1S/C14H20N2O/c1-2-6-16-14(3-1)13-8-15-7-12(13)10-17-9-11-4-5-11/h1-3,6,11-13,15H,4-5,7-10H2/t12-,13+/m0/s1
InChIKeyIXVILJHHVJFQSV-QWHCGFSZSA-N
MW232.33 g/mol
LogP1.81
Rot. Bonds5

About 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine

2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine (PubChem CID 110203401) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine
PubChem CID110203401
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine
SMILESc1ccc([C@@H]2CNC[C@H]2COCC2CC2)nc1
InChIInChI=1S/C14H20N2O/c1-2-6-16-14(3-1)13-8-15-7-12(13)10-17-9-11-4-5-11/h1-3,6,11-13,15H,4-5,7-10H2/t12-,13+/m0/s1
InChIKeyIXVILJHHVJFQSV-QWHCGFSZSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine (CID 110203401) is 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine is c1ccc([C@@H]2CNC[C@H]2COCC2CC2)nc1.
What is the InChIKey of 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine?
The InChIKey is IXVILJHHVJFQSV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-6-16-14(3-1)13-8-15-7-12(13)10-17-9-11-4-5-11/h1-3,6,11-13,15H,4-5,7-10H2/t12-,13+/m0/s1.
What are the key properties of 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine?
2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine has a molecular weight of 232.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-(cyclopropylmethoxymethyl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 110203401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).