1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide

C8H13NO2 — CID 131222740

IUPAC1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide
SMILESC=CCCC1(C(=O)NO)CC1
InChIInChI=1S/C8H13NO2/c1-2-3-4-8(5-6-8)7(10)9-11/h2,11H,1,3-6H2,(H,9,10)
InChIKeyPRYGUMLJTFFJTD-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.24
Rot. Bonds4

About 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide

1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide (PubChem CID 131222740) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide
PubChem CID131222740
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide
SMILESC=CCCC1(C(=O)NO)CC1
InChIInChI=1S/C8H13NO2/c1-2-3-4-8(5-6-8)7(10)9-11/h2,11H,1,3-6H2,(H,9,10)
InChIKeyPRYGUMLJTFFJTD-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide?
The IUPAC name of 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide (CID 131222740) is 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide is C=CCCC1(C(=O)NO)CC1.
What is the InChIKey of 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide?
The InChIKey is PRYGUMLJTFFJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-8(5-6-8)7(10)9-11/h2,11H,1,3-6H2,(H,9,10).
What are the key properties of 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide?
1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-N-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 131222740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).