1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile

C11H18N2 — CID 83846376

IUPAC1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CC(C)(C)N1C1CC1
InChIInChI=1S/C11H18N2/c1-8-9(7-12)6-11(2,3)13(8)10-4-5-10/h8-10H,4-6H2,1-3H3
InChIKeyNOPFUBBRIWZCQP-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.16
Rot. Bonds1

About 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile

1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile (PubChem CID 83846376) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile
PubChem CID83846376
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CC(C)(C)N1C1CC1
InChIInChI=1S/C11H18N2/c1-8-9(7-12)6-11(2,3)13(8)10-4-5-10/h8-10H,4-6H2,1-3H3
InChIKeyNOPFUBBRIWZCQP-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020239
1,2-dimethylpyrrolidine-3-carbonitrile
CID 76609008
1-cyclohexyl-2,2,3-trimethylaziridine
CID 14812964
2-methylcyclobutane-1-carbonitrile
CID 105426925
7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile
CID 21188393
1-(1,1-dioxothiolan-3-yl)-6,6-dimethylpiperidine-3-carbonitrile
CID 117021160
3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
CID 171511357
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile
CID 143799730
(1S,3R,6S,7R,8S)-1,3-dimethyl-2,5-dioxotricyclo[4.3.1.03,7]decane-8-carbonitrile
CID 177487888
(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile
CID 11686937
1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile
CID 117019338

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile (CID 83846376) is 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile is CC1C(C#N)CC(C)(C)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile?
The InChIKey is NOPFUBBRIWZCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-9(7-12)6-11(2,3)13(8)10-4-5-10/h8-10H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile?
1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,5,5-trimethylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 83846376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).