but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone

C12H19NO — CID 170583194

IUPACbut-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
SMILESCC#CC.O=C(C1CC1)N1CCCC1
InChIInChI=1S/C8H13NO.C4H6/c10-8(7-3-4-7)9-5-1-2-6-9;1-3-4-2/h7H,1-6H2;1-2H3
InChIKeyIUTXQFUKAJRQIP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.05
Rot. Bonds1

About but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone

but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone (PubChem CID 170583194) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namebut-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
PubChem CID170583194
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namebut-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
SMILESCC#CC.O=C(C1CC1)N1CCCC1
InChIInChI=1S/C8H13NO.C4H6/c10-8(7-3-4-7)9-5-1-2-6-9;1-3-4-2/h7H,1-6H2;1-2H3
InChIKeyIUTXQFUKAJRQIP-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cis-(1R,3S)-3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065845
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784

Frequently Asked Questions

What is the IUPAC name of but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone?
The IUPAC name of but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone (CID 170583194) is but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone?
The canonical SMILES for but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone is CC#CC.O=C(C1CC1)N1CCCC1.
What is the InChIKey of but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone?
The InChIKey is IUTXQFUKAJRQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C4H6/c10-8(7-3-4-7)9-5-1-2-6-9;1-3-4-2/h7H,1-6H2;1-2H3.
What are the key properties of but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone?
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone has a molecular weight of 193.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 170583194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).