N-imidazolidin-1-ylprop-2-enamide

C6H11N3O — CID 68795651

IUPACN-imidazolidin-1-ylprop-2-enamide
SMILESC=CC(=O)NN1CCNC1
InChIInChI=1S/C6H11N3O/c1-2-6(10)8-9-4-3-7-5-9/h2,7H,1,3-5H2,(H,8,10)
InChIKeyKCXKDGUHCFGQQN-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.93
Rot. Bonds2

About N-imidazolidin-1-ylprop-2-enamide

N-imidazolidin-1-ylprop-2-enamide (PubChem CID 68795651) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-imidazolidin-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-imidazolidin-1-ylprop-2-enamide
PubChem CID68795651
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-imidazolidin-1-ylprop-2-enamide
SMILESC=CC(=O)NN1CCNC1
InChIInChI=1S/C6H11N3O/c1-2-6(10)8-9-4-3-7-5-9/h2,7H,1,3-5H2,(H,8,10)
InChIKeyKCXKDGUHCFGQQN-UHFFFAOYSA-N
XLogP-0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

imidazolidin-1-ylurea;molecular nitrogen
CID 138543560
disodium;imidazolidin-1-ylurea;sulfite
CID 174425382
N-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 23039338
1-methyl-3-piperazin-1-ylurea
CID 67352937
CID 173161904
CID 173161904
ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
N-pyrrol-1-ylprop-2-enamide
CID 5152855
2-imidazolidin-1-yl-2-oxoacetaldehyde
CID 174498915
N-(1-piperidin-1-ylprop-2-ynyl)prop-2-enamide
CID 133083847
imidazolidin-1-ylurea;1-iodoprop-1-enyl N-butylcarbamate
CID 170172763
N-imidazolidin-2-ylprop-2-enamide
CID 68795650
tris(prop-2-enoic acid);1,3,5-triazinane
CID 174985722

Frequently Asked Questions

What is the IUPAC name of N-imidazolidin-1-ylprop-2-enamide?
The IUPAC name of N-imidazolidin-1-ylprop-2-enamide (CID 68795651) is N-imidazolidin-1-ylprop-2-enamide.
What is the SMILES notation for N-imidazolidin-1-ylprop-2-enamide?
The canonical SMILES for N-imidazolidin-1-ylprop-2-enamide is C=CC(=O)NN1CCNC1.
What is the InChIKey of N-imidazolidin-1-ylprop-2-enamide?
The InChIKey is KCXKDGUHCFGQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-6(10)8-9-4-3-7-5-9/h2,7H,1,3-5H2,(H,8,10).
What are the key properties of N-imidazolidin-1-ylprop-2-enamide?
N-imidazolidin-1-ylprop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazolidin-1-ylprop-2-enamide is sourced from PubChem (CID 68795651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).