cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone

C14H23NO — CID 106655318

IUPACcycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCCCCC2)CCNC1
InChIInChI=1S/C14H23NO/c1-14(9-10-15-11-14)13(16)12-7-5-3-2-4-6-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeySVZXSMNCEIUBEN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.84
Rot. Bonds2

About cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone

cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 106655318) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
PubChem CID106655318
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Namecycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCCCCC2)CCNC1
InChIInChI=1S/C14H23NO/c1-14(9-10-15-11-14)13(16)12-7-5-3-2-4-6-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeySVZXSMNCEIUBEN-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
CID 102648349
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CID 106652256
cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
cyclohexen-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652335
cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 106652005
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106976907
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106655601
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
furan-2-yl-(3-methylpyrrolidin-3-yl)methanone
CID 116570107

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone (CID 106655318) is cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)C2=CCCCCCC2)CCNC1.
What is the InChIKey of cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is SVZXSMNCEIUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(9-10-15-11-14)13(16)12-7-5-3-2-4-6-8-12/h7,15H,2-6,8-11H2,1H3.
What are the key properties of cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).