ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide

C14H28N2O2 — CID 176702681

IUPACethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
SMILESC=CC(=O)N1CCC(NC(=O)CC)C1.CC.CC
InChIInChI=1S/C10H16N2O2.2C2H6/c1-3-9(13)11-8-5-6-12(7-8)10(14)4-2;2*1-2/h4,8H,2-3,5-7H2,1H3,(H,11,13);2*1-2H3
InChIKeyLPHJTQDUWOXGPR-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.35
Rot. Bonds3

About ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide

ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide (PubChem CID 176702681) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Nameethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
PubChem CID176702681
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
SMILESC=CC(=O)N1CCC(NC(=O)CC)C1.CC.CC
InChIInChI=1S/C10H16N2O2.2C2H6/c1-3-9(13)11-8-5-6-12(7-8)10(14)4-2;2*1-2/h4,8H,2-3,5-7H2,1H3,(H,11,13);2*1-2H3
InChIKeyLPHJTQDUWOXGPR-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.35
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

[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
CID 155344249
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide
CID 154848050
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
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CID 60949730
N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide
CID 146427409
prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate
CID 67597256
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 135183234
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
The IUPAC name of ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide (CID 176702681) is ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
The canonical SMILES for ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide is C=CC(=O)N1CCC(NC(=O)CC)C1.CC.CC.
What is the InChIKey of ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
The InChIKey is LPHJTQDUWOXGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.2C2H6/c1-3-9(13)11-8-5-6-12(7-8)10(14)4-2;2*1-2/h4,8H,2-3,5-7H2,1H3,(H,11,13);2*1-2H3.
What are the key properties of ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide?
ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 176702681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).