(E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine

C10H16N2 — CID 63970507

IUPAC(E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine
SMILESCc1cc(/C=C/CN)c(C)n1C
InChIInChI=1S/C10H16N2/c1-8-7-10(5-4-6-11)9(2)12(8)3/h4-5,7H,6,11H2,1-3H3/b5-4+
InChIKeyVVUPGHRSRJNYAF-SNAWJCMRSA-N
MW164.25 g/mol
LogP1.61
Rot. Bonds2

About (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine

(E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine (PubChem CID 63970507) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine
PubChem CID63970507
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine
SMILESCc1cc(/C=C/CN)c(C)n1C
InChIInChI=1S/C10H16N2/c1-8-7-10(5-4-6-11)9(2)12(8)3/h4-5,7H,6,11H2,1-3H3/b5-4+
InChIKeyVVUPGHRSRJNYAF-SNAWJCMRSA-N
XLogP1.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine
CID 169464765
3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 169464750
2-[(E)-3-aminoprop-1-enyl]-4,5-dimethylbenzaldehyde
CID 117281497
(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352410
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991
(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine
CID 131237474
(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
CID 82285295
7-[(E)-3-aminoprop-1-enyl]-1,5-dimethyl-3H-indol-2-one
CID 117308369
2-methyl-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoic acid
CID 79726797
5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine
CID 169463243
(E)-3-(2,4-difluoro-5-propan-2-ylphenyl)prop-2-en-1-amine
CID 117301557

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine (CID 63970507) is (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine is Cc1cc(/C=C/CN)c(C)n1C.
What is the InChIKey of (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine?
The InChIKey is VVUPGHRSRJNYAF-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-7-10(5-4-6-11)9(2)12(8)3/h4-5,7H,6,11H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine?
(E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 63970507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).