3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile

C9H16N2 — CID 58029648

IUPAC3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)N1CCC(C)(C#N)C1
InChIInChI=1S/C9H16N2/c1-8(2)11-5-4-9(3,6-10)7-11/h8H,4-5,7H2,1-3H3
InChIKeyPTMMMAHKRZPYJQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds1

About 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile

3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile (PubChem CID 58029648) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile
PubChem CID58029648
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)N1CCC(C)(C#N)C1
InChIInChI=1S/C9H16N2/c1-8(2)11-5-4-9(3,6-10)7-11/h8H,4-5,7H2,1-3H3
InChIKeyPTMMMAHKRZPYJQ-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile (CID 58029648) is 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile is CC(C)N1CCC(C)(C#N)C1.
What is the InChIKey of 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The InChIKey is PTMMMAHKRZPYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11-5-4-9(3,6-10)7-11/h8H,4-5,7H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 58029648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).