N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide

C11H20N2O — CID 115774843

IUPACN-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
SMILESC=CC(C)NC(=O)CCC1CCNC1
InChIInChI=1S/C11H20N2O/c1-3-9(2)13-11(14)5-4-10-6-7-12-8-10/h3,9-10,12H,1,4-8H2,2H3,(H,13,14)
InChIKeySEFOJWUWHRWEMW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds5

About N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide

N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide (PubChem CID 115774843) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
PubChem CID115774843
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
SMILESC=CC(C)NC(=O)CCC1CCNC1
InChIInChI=1S/C11H20N2O/c1-3-9(2)13-11(14)5-4-10-6-7-12-8-10/h3,9-10,12H,1,4-8H2,2H3,(H,13,14)
InChIKeySEFOJWUWHRWEMW-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide
CID 115739602
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylpropanamide
CID 63843860
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-[(1-propan-2-ylcyclopropyl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859941
1-pyrrolidin-3-ylhex-5-en-3-one
CID 116605872
3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
CID 106345005
N-[(2R)-1-hydroxypropan-2-yl]-2-pyrrolidin-3-ylacetamide
CID 107218668
N-[(1R)-1-cyclopentylethyl]-3-piperidin-4-ylpropanamide
CID 81390674
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
CID 81386056

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide (CID 115774843) is N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide is C=CC(C)NC(=O)CCC1CCNC1.
What is the InChIKey of N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide?
The InChIKey is SEFOJWUWHRWEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-9(2)13-11(14)5-4-10-6-7-12-8-10/h3,9-10,12H,1,4-8H2,2H3,(H,13,14).
What are the key properties of N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide?
N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 115774843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).