2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide

C11H20N2O — CID 116674246

IUPAC2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O/c1-4-10(5-2)13-11(14)8(3)9-6-12-7-9/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyBQQIGKAKDWDCPK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide

2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide (PubChem CID 116674246) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide
PubChem CID116674246
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O/c1-4-10(5-2)13-11(14)8(3)9-6-12-7-9/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyBQQIGKAKDWDCPK-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide (CID 116674246) is 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide?
The InChIKey is BQQIGKAKDWDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-10(5-2)13-11(14)8(3)9-6-12-7-9/h10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide?
2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 116674246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).