1-propylcyclopropane-1-carbonyl cyanide

C8H11NO — CID 54380837

IUPAC1-propylcyclopropane-1-carbonyl cyanide
SMILESCCCC1(C(=O)C#N)CC1
InChIInChI=1S/C8H11NO/c1-2-3-8(4-5-8)7(10)6-9/h2-5H2,1H3
InChIKeyUZTYXYDCYMRBNX-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.66
Rot. Bonds3

About 1-propylcyclopropane-1-carbonyl cyanide

1-propylcyclopropane-1-carbonyl cyanide (PubChem CID 54380837) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-propylcyclopropane-1-carbonyl cyanide.

Molecular Properties

Compound Name1-propylcyclopropane-1-carbonyl cyanide
PubChem CID54380837
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-propylcyclopropane-1-carbonyl cyanide
SMILESCCCC1(C(=O)C#N)CC1
InChIInChI=1S/C8H11NO/c1-2-3-8(4-5-8)7(10)6-9/h2-5H2,1H3
InChIKeyUZTYXYDCYMRBNX-UHFFFAOYSA-N
XLogP1.66
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propylcyclopropane-1-carbonyl cyanide?
The IUPAC name of 1-propylcyclopropane-1-carbonyl cyanide (CID 54380837) is 1-propylcyclopropane-1-carbonyl cyanide.
What is the SMILES notation for 1-propylcyclopropane-1-carbonyl cyanide?
The canonical SMILES for 1-propylcyclopropane-1-carbonyl cyanide is CCCC1(C(=O)C#N)CC1.
What is the InChIKey of 1-propylcyclopropane-1-carbonyl cyanide?
The InChIKey is UZTYXYDCYMRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-8(4-5-8)7(10)6-9/h2-5H2,1H3.
What are the key properties of 1-propylcyclopropane-1-carbonyl cyanide?
1-propylcyclopropane-1-carbonyl cyanide has a molecular weight of 137.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylcyclopropane-1-carbonyl cyanide is sourced from PubChem (CID 54380837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).