ethane;N-pyrrolidin-3-ylprop-2-enamide

C9H18N2O — CID 145096848

IUPACethane;N-pyrrolidin-3-ylprop-2-enamide
SMILESC=CC(=O)NC1CCNC1.CC
InChIInChI=1S/C7H12N2O.C2H6/c1-2-7(10)9-6-3-4-8-5-6;1-2/h2,6,8H,1,3-5H2,(H,9,10);1-2H3
InChIKeyBOYPUXJQGBQUBT-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds2

About ethane;N-pyrrolidin-3-ylprop-2-enamide

ethane;N-pyrrolidin-3-ylprop-2-enamide (PubChem CID 145096848) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;N-pyrrolidin-3-ylprop-2-enamide.

Molecular Properties

Compound Nameethane;N-pyrrolidin-3-ylprop-2-enamide
PubChem CID145096848
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameethane;N-pyrrolidin-3-ylprop-2-enamide
SMILESC=CC(=O)NC1CCNC1.CC
InChIInChI=1S/C7H12N2O.C2H6/c1-2-7(10)9-6-3-4-8-5-6;1-2/h2,6,8H,1,3-5H2,(H,9,10);1-2H3
InChIKeyBOYPUXJQGBQUBT-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azepan-4-yl)prop-2-enamide
CID 107172224
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
2-cyclopentylidene-N-pyrrolidin-3-ylacetamide
CID 130678830
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
N-cyclodecylprop-2-enamide
CID 18400354
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
N-pyrrolidin-3-ylpropanamide
CID 18337238
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide
CID 126649587

Frequently Asked Questions

What is the IUPAC name of ethane;N-pyrrolidin-3-ylprop-2-enamide?
The IUPAC name of ethane;N-pyrrolidin-3-ylprop-2-enamide (CID 145096848) is ethane;N-pyrrolidin-3-ylprop-2-enamide.
What is the SMILES notation for ethane;N-pyrrolidin-3-ylprop-2-enamide?
The canonical SMILES for ethane;N-pyrrolidin-3-ylprop-2-enamide is C=CC(=O)NC1CCNC1.CC.
What is the InChIKey of ethane;N-pyrrolidin-3-ylprop-2-enamide?
The InChIKey is BOYPUXJQGBQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6/c1-2-7(10)9-6-3-4-8-5-6;1-2/h2,6,8H,1,3-5H2,(H,9,10);1-2H3.
What are the key properties of ethane;N-pyrrolidin-3-ylprop-2-enamide?
ethane;N-pyrrolidin-3-ylprop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pyrrolidin-3-ylprop-2-enamide is sourced from PubChem (CID 145096848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).