3-[(1-methoxycyclopropyl)methyl]pyrrolidine

C9H17NO — CID 84763658

IUPAC3-[(1-methoxycyclopropyl)methyl]pyrrolidine
SMILESCOC1(CC2CCNC2)CC1
InChIInChI=1S/C9H17NO/c1-11-9(3-4-9)6-8-2-5-10-7-8/h8,10H,2-7H2,1H3
InChIKeyJEYXJCCLHHHGNV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds3

About 3-[(1-methoxycyclopropyl)methyl]pyrrolidine

3-[(1-methoxycyclopropyl)methyl]pyrrolidine (PubChem CID 84763658) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[(1-methoxycyclopropyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1-methoxycyclopropyl)methyl]pyrrolidine
PubChem CID84763658
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-[(1-methoxycyclopropyl)methyl]pyrrolidine
SMILESCOC1(CC2CCNC2)CC1
InChIInChI=1S/C9H17NO/c1-11-9(3-4-9)6-8-2-5-10-7-8/h8,10H,2-7H2,1H3
InChIKeyJEYXJCCLHHHGNV-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine
CID 66890175
3-[[1-(3-chloro-2-methylphenoxy)cyclopropyl]methyl]pyrrolidine
CID 66848749
3-(cyclobutylmethyl)-3-methoxypyrrolidine
CID 105434266
3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
CID 80563875
N-methoxy-1-pyrrolidin-3-ylmethanamine
CID 14478542
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
ethane;3-ethylpyrrolidine
CID 143803201
1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane
CID 71050909
(3R)-3-(1-fluoroethoxymethyl)pyrrolidine
CID 177026365
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
2,5-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine
CID 117228741
3-(4-methoxybutoxymethyl)pyrrolidine
CID 104648277

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxycyclopropyl)methyl]pyrrolidine?
The IUPAC name of 3-[(1-methoxycyclopropyl)methyl]pyrrolidine (CID 84763658) is 3-[(1-methoxycyclopropyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(1-methoxycyclopropyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(1-methoxycyclopropyl)methyl]pyrrolidine is COC1(CC2CCNC2)CC1.
What is the InChIKey of 3-[(1-methoxycyclopropyl)methyl]pyrrolidine?
The InChIKey is JEYXJCCLHHHGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-9(3-4-9)6-8-2-5-10-7-8/h8,10H,2-7H2,1H3.
What are the key properties of 3-[(1-methoxycyclopropyl)methyl]pyrrolidine?
3-[(1-methoxycyclopropyl)methyl]pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxycyclopropyl)methyl]pyrrolidine is sourced from PubChem (CID 84763658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).