aniline;cyclobutanecarboxamide

C11H16N2O — CID 145209318

IUPACaniline;cyclobutanecarboxamide
SMILESNC(=O)C1CCC1.Nc1ccccc1
InChIInChI=1S/C6H7N.C5H9NO/c7-6-4-2-1-3-5-6;6-5(7)4-2-1-3-4/h1-5H,7H2;4H,1-3H2,(H2,6,7)
InChIKeySSFQLXPZZWEACJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.54
Rot. Bonds1

About aniline;cyclobutanecarboxamide

aniline;cyclobutanecarboxamide (PubChem CID 145209318) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is aniline;cyclobutanecarboxamide.

Molecular Properties

Compound Nameaniline;cyclobutanecarboxamide
PubChem CID145209318
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameaniline;cyclobutanecarboxamide
SMILESNC(=O)C1CCC1.Nc1ccccc1
InChIInChI=1S/C6H7N.C5H9NO/c7-6-4-2-1-3-5-6;6-5(7)4-2-1-3-4/h1-5H,7H2;4H,1-3H2,(H2,6,7)
InChIKeySSFQLXPZZWEACJ-UHFFFAOYSA-N
XLogP1.54
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 33401914
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CID 102136301
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
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CID 21082136
(5-carbamoylcyclooctyl)boronic acid
CID 163749096
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CID 5381908

Frequently Asked Questions

What is the IUPAC name of aniline;cyclobutanecarboxamide?
The IUPAC name of aniline;cyclobutanecarboxamide (CID 145209318) is aniline;cyclobutanecarboxamide.
What is the SMILES notation for aniline;cyclobutanecarboxamide?
The canonical SMILES for aniline;cyclobutanecarboxamide is NC(=O)C1CCC1.Nc1ccccc1.
What is the InChIKey of aniline;cyclobutanecarboxamide?
The InChIKey is SSFQLXPZZWEACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H9NO/c7-6-4-2-1-3-5-6;6-5(7)4-2-1-3-4/h1-5H,7H2;4H,1-3H2,(H2,6,7).
What are the key properties of aniline;cyclobutanecarboxamide?
aniline;cyclobutanecarboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;cyclobutanecarboxamide is sourced from PubChem (CID 145209318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).