N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide

C13H21NO — CID 89215066

IUPACN-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide
SMILESC=C/C(C)=C1/CCCC1C(C)CNC=O
InChIInChI=1S/C13H21NO/c1-4-10(2)12-6-5-7-13(12)11(3)8-14-9-15/h4,9,11,13H,1,5-8H2,2-3H3,(H,14,15)/b12-10-
InChIKeyXGSCSVTUZXOALP-BENRWUELSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds5

About N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide

N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide (PubChem CID 89215066) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide
PubChem CID89215066
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide
SMILESC=C/C(C)=C1/CCCC1C(C)CNC=O
InChIInChI=1S/C13H21NO/c1-4-10(2)12-6-5-7-13(12)11(3)8-14-9-15/h4,9,11,13H,1,5-8H2,2-3H3,(H,14,15)/b12-10-
InChIKeyXGSCSVTUZXOALP-BENRWUELSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide?
The IUPAC name of N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide (CID 89215066) is N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide.
What is the SMILES notation for N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide?
The canonical SMILES for N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide is C=C/C(C)=C1/CCCC1C(C)CNC=O.
What is the InChIKey of N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide?
The InChIKey is XGSCSVTUZXOALP-BENRWUELSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10(2)12-6-5-7-13(12)11(3)8-14-9-15/h4,9,11,13H,1,5-8H2,2-3H3,(H,14,15)/b12-10-.
What are the key properties of N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide?
N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide has a molecular weight of 207.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide is sourced from PubChem (CID 89215066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).