N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide

C10H19N3O — CID 178011215

IUPACN-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide
SMILESC/C=C/CNC(=O)C(C)N1CCNC1
InChIInChI=1S/C10H19N3O/c1-3-4-5-12-10(14)9(2)13-7-6-11-8-13/h3-4,9,11H,5-8H2,1-2H3,(H,12,14)/b4-3+
InChIKeyCAJFCAZFVFVYEQ-ONEGZZNKSA-N
MW197.28 g/mol
LogP-0.07
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide

N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide (PubChem CID 178011215) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide
PubChem CID178011215
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide
SMILESC/C=C/CNC(=O)C(C)N1CCNC1
InChIInChI=1S/C10H19N3O/c1-3-4-5-12-10(14)9(2)13-7-6-11-8-13/h3-4,9,11H,5-8H2,1-2H3,(H,12,14)/b4-3+
InChIKeyCAJFCAZFVFVYEQ-ONEGZZNKSA-N
XLogP-0.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289
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N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
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N-pent-3-ynyl-2-piperazin-1-ylpropanamide
CID 116644676
methyl (E)-4-[2-(azepan-1-yl)propanoylamino]but-2-enoate
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N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
N-[(E)-but-2-enyl]piperidine-4-carboxamide
CID 131242610
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
N-[(1,1-dioxothiolan-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 62131979
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide (CID 178011215) is N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide is C/C=C/CNC(=O)C(C)N1CCNC1.
What is the InChIKey of N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide?
The InChIKey is CAJFCAZFVFVYEQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-5-12-10(14)9(2)13-7-6-11-8-13/h3-4,9,11H,5-8H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide?
N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide has a molecular weight of 197.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-imidazolidin-1-ylpropanamide is sourced from PubChem (CID 178011215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).