methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile

C17H24N2O — CID 155739038

IUPACmethylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile
SMILESCC1CCC1.N#CC1CC(OCc2ccccc2)CN1
InChIInChI=1S/C12H14N2O.C5H10/c13-7-11-6-12(8-14-11)15-9-10-4-2-1-3-5-10;1-5-3-2-4-5/h1-5,11-12,14H,6,8-9H2;5H,2-4H2,1H3
InChIKeyDUZDOJHBXPADMD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.26
Rot. Bonds3

About methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile

methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile (PubChem CID 155739038) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile.

Molecular Properties

Compound Namemethylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile
PubChem CID155739038
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Namemethylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile
SMILESCC1CCC1.N#CC1CC(OCc2ccccc2)CN1
InChIInChI=1S/C12H14N2O.C5H10/c13-7-11-6-12(8-14-11)15-9-10-4-2-1-3-5-10;1-5-3-2-4-5/h1-5,11-12,14H,6,8-9H2;5H,2-4H2,1H3
InChIKeyDUZDOJHBXPADMD-UHFFFAOYSA-N
XLogP3.26
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
5-methyl-3-phenylmethoxyazepane
CID 123477831
4-phenylmethoxy-2-propan-2-ylpyrrolidine
CID 23588974
4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile
CID 43292101
azane;cyclopentyloxymethylbenzene
CID 69411306
(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
CID 25179151
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
ethane;(NE)-N-[[(2S)-4-phenylmethoxypyrrolidin-2-yl]methylidene]hydroxylamine;toluene
CID 155739040
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107

Frequently Asked Questions

What is the IUPAC name of methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile?
The IUPAC name of methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile (CID 155739038) is methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile.
What is the SMILES notation for methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile?
The canonical SMILES for methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile is CC1CCC1.N#CC1CC(OCc2ccccc2)CN1.
What is the InChIKey of methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile?
The InChIKey is DUZDOJHBXPADMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C5H10/c13-7-11-6-12(8-14-11)15-9-10-4-2-1-3-5-10;1-5-3-2-4-5/h1-5,11-12,14H,6,8-9H2;5H,2-4H2,1H3.
What are the key properties of methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile?
methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile is sourced from PubChem (CID 155739038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).