3-(cyclopropylmethyl)-4-methoxypyrrolidine

C9H17NO — CID 84731345

IUPAC3-(cyclopropylmethyl)-4-methoxypyrrolidine
SMILESCOC1CNCC1CC1CC1
InChIInChI=1S/C9H17NO/c1-11-9-6-10-5-8(9)4-7-2-3-7/h7-10H,2-6H2,1H3
InChIKeyDEMWQXVQVRIJPG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About 3-(cyclopropylmethyl)-4-methoxypyrrolidine

3-(cyclopropylmethyl)-4-methoxypyrrolidine (PubChem CID 84731345) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-methoxypyrrolidine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-methoxypyrrolidine
PubChem CID84731345
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(cyclopropylmethyl)-4-methoxypyrrolidine
SMILESCOC1CNCC1CC1CC1
InChIInChI=1S/C9H17NO/c1-11-9-6-10-5-8(9)4-7-2-3-7/h7-10H,2-6H2,1H3
InChIKeyDEMWQXVQVRIJPG-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-methoxypyrrolidine?
The IUPAC name of 3-(cyclopropylmethyl)-4-methoxypyrrolidine (CID 84731345) is 3-(cyclopropylmethyl)-4-methoxypyrrolidine.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-methoxypyrrolidine?
The canonical SMILES for 3-(cyclopropylmethyl)-4-methoxypyrrolidine is COC1CNCC1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-4-methoxypyrrolidine?
The InChIKey is DEMWQXVQVRIJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-9-6-10-5-8(9)4-7-2-3-7/h7-10H,2-6H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-4-methoxypyrrolidine?
3-(cyclopropylmethyl)-4-methoxypyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-4-methoxypyrrolidine is sourced from PubChem (CID 84731345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).