1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine

C14H19N — CID 145007823

IUPAC1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
SMILESC=C(C)c1cc(C)ccc1N1CCCC1
InChIInChI=1S/C14H19N/c1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15/h6-7,10H,1,4-5,8-9H2,2-3H3
InChIKeyKHFQWSOULRQETR-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine

1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine (PubChem CID 145007823) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
PubChem CID145007823
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
SMILESC=C(C)c1cc(C)ccc1N1CCCC1
InChIInChI=1S/C14H19N/c1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15/h6-7,10H,1,4-5,8-9H2,2-3H3
InChIKeyKHFQWSOULRQETR-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(4-methyl-2-prop-1-en-2-ylphenyl)-1,4-diazepane
CID 134507640
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
ethyl 2-[4-(4-methyl-2-prop-1-en-2-ylphenyl)piperazin-1-yl]-2-oxoacetate
CID 66793118
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
CID 166801108
2-(4-acetyl-1,4-diazepan-1-yl)-5-methylbenzoic acid
CID 62515359
2-(4-hydroxy-4-methylazepan-1-yl)-5-methylbenzenecarbothioamide
CID 107929385
5-methyl-2-(1,4-thiazepan-4-yl)benzenecarbothioamide
CID 107928635
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875
2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119348543
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
2-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339104

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine?
The IUPAC name of 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine (CID 145007823) is 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine is C=C(C)c1cc(C)ccc1N1CCCC1.
What is the InChIKey of 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine?
The InChIKey is KHFQWSOULRQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15/h6-7,10H,1,4-5,8-9H2,2-3H3.
What are the key properties of 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine?
1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 145007823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).