N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide

C12H22N2O — CID 131991602

IUPACN-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-10(9-14-7-5-6-8-14)11(15)13-12(2,3)4/h1,5-9H2,2-4H3,(H,13,15)
InChIKeyUJZXPVSJKXWCRD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds3

About N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide

N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide (PubChem CID 131991602) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide
PubChem CID131991602
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-10(9-14-7-5-6-8-14)11(15)13-12(2,3)4/h1,5-9H2,2-4H3,(H,13,15)
InChIKeyUJZXPVSJKXWCRD-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
CID 3097417
Dimethyl-aminopropyl methacrylamide
CID 54114772
N-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]prop-2-enamide
CID 176757707
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-ethylprop-2-enamide;ethane
CID 177014372
N-[4-(diethylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
CID 3097418
Dimethyl-[3-(methylamino)-3-oxopropyl]-[3-methyl-3-(2-methylprop-2-enoylamino)butyl]azanium chloride
CID 134926936
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-ethylprop-2-enamide
CID 177014373
N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
CID 3097419
2-Propenamide, N-[3-(dibutylamino)propyl]-2-methyl-
CID 10445042
2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 18464084
2-methyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 18464108
N-[4-(dimethylamino)butan-2-yl]-2-methylprop-2-enamide
CID 19094525

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide?
The IUPAC name of N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide (CID 131991602) is N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide?
The canonical SMILES for N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide is C=C(CN1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide?
The InChIKey is UJZXPVSJKXWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(9-14-7-5-6-8-14)11(15)13-12(2,3)4/h1,5-9H2,2-4H3,(H,13,15).
What are the key properties of N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide?
N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(pyrrolidin-1-ylmethyl)prop-2-enamide is sourced from PubChem (CID 131991602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).