N-propylcyclobutene-1-carboxamide

C8H13NO — CID 89033036

IUPACN-propylcyclobutene-1-carboxamide
SMILESCCCNC(=O)C1=CCC1
InChIInChI=1S/C8H13NO/c1-2-6-9-8(10)7-4-3-5-7/h4H,2-3,5-6H2,1H3,(H,9,10)
InChIKeySAOGLJKVUFIERS-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds3

About N-propylcyclobutene-1-carboxamide

N-propylcyclobutene-1-carboxamide (PubChem CID 89033036) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-propylcyclobutene-1-carboxamide.

Molecular Properties

Compound NameN-propylcyclobutene-1-carboxamide
PubChem CID89033036
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-propylcyclobutene-1-carboxamide
SMILESCCCNC(=O)C1=CCC1
InChIInChI=1S/C8H13NO/c1-2-6-9-8(10)7-4-3-5-7/h4H,2-3,5-6H2,1H3,(H,9,10)
InChIKeySAOGLJKVUFIERS-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-Ethylidenepyrrolidin-2-one
CID 20088381
N-methylcyclobutene-1-carboxamide
CID 88069719
3-Ethylidenepyrrolidin-2-one
CID 53701396
(3Z)-3-ethylidenepyrrolidin-2-one
CID 5317249
(1E)-N-butylcyclooctene-1-carboxamide
CID 134988362
4-Methyl-1,5,6,7-tetrahydro-2 h-azepin-2-one
CID 55287495
2-pentenamide, N-(2-amino-2-oxoethyl)-2-propyl-, (e)-
CID 6442989
2-ethyl-N-(3,3,4,4,5,5,6,6-octafluorohexyl)but-2-enamide
CID 91047662
N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
CID 121322277
3-fluoro-2-(1-fluoroethyl)-N-prop-2-enylbut-2-enamide
CID 123599480
N-ethyl-2-(fluoromethyl)pent-2-enamide
CID 123954681
N-butylcycloheptene-1-carboxamide
CID 134920575

Frequently Asked Questions

What is the IUPAC name of N-propylcyclobutene-1-carboxamide?
The IUPAC name of N-propylcyclobutene-1-carboxamide (CID 89033036) is N-propylcyclobutene-1-carboxamide.
What is the SMILES notation for N-propylcyclobutene-1-carboxamide?
The canonical SMILES for N-propylcyclobutene-1-carboxamide is CCCNC(=O)C1=CCC1.
What is the InChIKey of N-propylcyclobutene-1-carboxamide?
The InChIKey is SAOGLJKVUFIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-6-9-8(10)7-4-3-5-7/h4H,2-3,5-6H2,1H3,(H,9,10).
What are the key properties of N-propylcyclobutene-1-carboxamide?
N-propylcyclobutene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclobutene-1-carboxamide is sourced from PubChem (CID 89033036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).