2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile

C14H21N3O2 — CID 65301534

IUPAC2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
SMILESCC(C#N)(CCN1C(=O)CC(C)(C)C1=O)NC1CC1
InChIInChI=1S/C14H21N3O2/c1-13(2)8-11(18)17(12(13)19)7-6-14(3,9-15)16-10-4-5-10/h10,16H,4-8H2,1-3H3
InChIKeyYTPUXEFSNXRWET-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds5

About 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile

2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile (PubChem CID 65301534) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
PubChem CID65301534
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
SMILESCC(C#N)(CCN1C(=O)CC(C)(C)C1=O)NC1CC1
InChIInChI=1S/C14H21N3O2/c1-13(2)8-11(18)17(12(13)19)7-6-14(3,9-15)16-10-4-5-10/h10,16H,4-8H2,1-3H3
InChIKeyYTPUXEFSNXRWET-UHFFFAOYSA-N
XLogP1.20
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile (CID 65301534) is 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile is CC(C#N)(CCN1C(=O)CC(C)(C)C1=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
The InChIKey is YTPUXEFSNXRWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2)8-11(18)17(12(13)19)7-6-14(3,9-15)16-10-4-5-10/h10,16H,4-8H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile?
2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile has a molecular weight of 263.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile is sourced from PubChem (CID 65301534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).