N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide

C10H20N2O — CID 115578646

IUPACN-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)C(C)NC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-8(2)9(3)11-10(13)12-6-4-5-7-12/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyJGLVNYPRROGPEM-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.84
Rot. Bonds2

About N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide

N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 115578646) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
PubChem CID115578646
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)C(C)NC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-8(2)9(3)11-10(13)12-6-4-5-7-12/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyJGLVNYPRROGPEM-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide (CID 115578646) is N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide is CC(C)C(C)NC(=O)N1CCCC1.
What is the InChIKey of N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is JGLVNYPRROGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)9(3)11-10(13)12-6-4-5-7-12/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115578646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).