N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide

C12H18N2O2 — CID 103855657

IUPACN-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide
SMILESC=CCCOCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H18N2O2/c1-2-3-8-16-9-7-14-11(15)12(10-13)5-4-6-12/h2H,1,3-9H2,(H,14,15)
InChIKeyWILMBCBICFQQCR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide

N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide (PubChem CID 103855657) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide
PubChem CID103855657
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide
SMILESC=CCCOCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H18N2O2/c1-2-3-8-16-9-7-14-11(15)12(10-13)5-4-6-12/h2H,1,3-9H2,(H,14,15)
InChIKeyWILMBCBICFQQCR-UHFFFAOYSA-N
XLogP1.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
CID 113362898
1-amino-N-(2-but-3-enoxyethyl)cyclopropane-1-carboxamide
CID 103950980
N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide
CID 80592219
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
2-but-3-enoxyethylurea
CID 103852774
N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
CID 47438973
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide (CID 103855657) is N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide is C=CCCOCCNC(=O)C1(C#N)CCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide?
The InChIKey is WILMBCBICFQQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-8-16-9-7-14-11(15)12(10-13)5-4-6-12/h2H,1,3-9H2,(H,14,15).
What are the key properties of N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide?
N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 103855657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).