1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine

C14H17N — CID 126593568

IUPAC1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine
SMILESC=C=Cc1ccc(N2CCCC2)c(C)c1
InChIInChI=1S/C14H17N/c1-3-6-13-7-8-14(12(2)11-13)15-9-4-5-10-15/h6-8,11H,1,4-5,9-10H2,2H3
InChIKeyKNPHZDGZFFPVHP-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine

1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine (PubChem CID 126593568) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine
PubChem CID126593568
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine
SMILESC=C=Cc1ccc(N2CCCC2)c(C)c1
InChIInChI=1S/C14H17N/c1-3-6-13-7-8-14(12(2)11-13)15-9-4-5-10-15/h6-8,11H,1,4-5,9-10H2,2H3
InChIKeyKNPHZDGZFFPVHP-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

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CID 3144104
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1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine
CID 23766843
(E)-3-[4-(azepan-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 55039965
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
3-methyl-4-piperidin-1-ylbenzonitrile
CID 60929306
N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 23934132
[(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3375039
1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine
CID 21292588
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
1-[4-(chloromethyl)-2-methylphenyl]azocane
CID 63539921
(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 6183685

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine?
The IUPAC name of 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine (CID 126593568) is 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine is C=C=Cc1ccc(N2CCCC2)c(C)c1.
What is the InChIKey of 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine?
The InChIKey is KNPHZDGZFFPVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-6-13-7-8-14(12(2)11-13)15-9-4-5-10-15/h6-8,11H,1,4-5,9-10H2,2H3.
What are the key properties of 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine?
1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine has a molecular weight of 199.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propa-1,2-dienylphenyl)pyrrolidine is sourced from PubChem (CID 126593568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).