ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine

C15H23N — CID 144973039

IUPACethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1cccc(C)c1)N1CCCC1.CC
InChIInChI=1S/C13H17N.C2H6/c1-11-6-5-7-13(10-11)12(2)14-8-3-4-9-14;1-2/h5-7,10H,2-4,8-9H2,1H3;1-2H3
InChIKeyXZGKLAKBICKZGZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.09
Rot. Bonds2

About ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine

ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine (PubChem CID 144973039) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine
PubChem CID144973039
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1cccc(C)c1)N1CCCC1.CC
InChIInChI=1S/C13H17N.C2H6/c1-11-6-5-7-13(10-11)12(2)14-8-3-4-9-14;1-2/h5-7,10H,2-4,8-9H2,1H3;1-2H3
InChIKeyXZGKLAKBICKZGZ-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole
CID 139421999
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
3-methylbenzoic acid
CID 7418

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine?
The IUPAC name of ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine (CID 144973039) is ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine.
What is the SMILES notation for ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine?
The canonical SMILES for ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine is C=C(c1cccc(C)c1)N1CCCC1.CC.
What is the InChIKey of ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine?
The InChIKey is XZGKLAKBICKZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C2H6/c1-11-6-5-7-13(10-11)12(2)14-8-3-4-9-14;1-2/h5-7,10H,2-4,8-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine?
ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-(3-methylphenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 144973039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).