3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile

C15H20N2O — CID 64597905

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile
SMILESCOCC1CCN(C(CC#N)c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c1-18-12-13-8-10-17(11-13)15(7-9-16)14-5-3-2-4-6-14/h2-6,13,15H,7-8,10-12H2,1H3
InChIKeyBGFJKTICDNTEJP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds5

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile

3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile (PubChem CID 64597905) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile
PubChem CID64597905
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile
SMILESCOCC1CCN(C(CC#N)c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c1-18-12-13-8-10-17(11-13)15(7-9-16)14-5-3-2-4-6-14/h2-6,13,15H,7-8,10-12H2,1H3
InChIKeyBGFJKTICDNTEJP-UHFFFAOYSA-N
XLogP2.61
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
3-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanenitrile
CID 104976929
3-(3-methylpiperazin-1-yl)-3-phenylpropanenitrile
CID 65449769
3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile
CID 62779738
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
CID 62780582
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-N-propylpropan-1-amine
CID 64569116
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 64598997
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile (CID 64597905) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile is COCC1CCN(C(CC#N)c2ccccc2)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile?
The InChIKey is BGFJKTICDNTEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-12-13-8-10-17(11-13)15(7-9-16)14-5-3-2-4-6-14/h2-6,13,15H,7-8,10-12H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile?
3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile is sourced from PubChem (CID 64597905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).