cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone

C13H17NO — CID 79097491

IUPACcyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone
SMILESC=CCCCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C13H17NO/c1-2-3-4-8-14-9-7-12(10-14)13(15)11-5-6-11/h2,7,9-11H,1,3-6,8H2
InChIKeyIYQKOIXCAZXROG-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.05
Rot. Bonds6

About cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone

cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone (PubChem CID 79097491) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone
PubChem CID79097491
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Namecyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone
SMILESC=CCCCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C13H17NO/c1-2-3-4-8-14-9-7-12(10-14)13(15)11-5-6-11/h2,7,9-11H,1,3-6,8H2
InChIKeyIYQKOIXCAZXROG-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Acetyl-1-methylpyrrole
CID 523057
Cyclopropyl(3-Pyridinyl)Methanone
CID 571581
1-(1,2-Dimethyl-1H-pyrrol-3-yl)ethanone
CID 13806152
(R,S)-1-Methyl-3-nicotinoylpyrrolidine
CID 4521351
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
CID 14968208
1-(1,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 57737807
3-Acetyl-1-ethenylpyrrole
CID 10606786
2-Methyl-2H-isoindole-4,7-dione
CID 13355055
1-(1-Butyl-1H-pyrrol-3-yl)ethanone
CID 15112379
1-(1-Isobutyl-1H-pyrrol-3-yl)ethanone
CID 15112380
1-(1-(tert-butyl)-1H-pyrrol-3-yl)ethanone
CID 15112382
(1-Tert-butylpyrrol-3-yl)-phenylmethanone
CID 15112387

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone?
The IUPAC name of cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone (CID 79097491) is cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone?
The canonical SMILES for cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone is C=CCCCn1ccc(C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone?
The InChIKey is IYQKOIXCAZXROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-4-8-14-9-7-12(10-14)13(15)11-5-6-11/h2,7,9-11H,1,3-6,8H2.
What are the key properties of cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone?
cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone has a molecular weight of 203.28 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone is sourced from PubChem (CID 79097491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).