(Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine

C11H18N2 — CID 167207638

IUPAC(Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine
SMILESCCC1(/C=C\N)C=NC=C1C(C)C
InChIInChI=1S/C11H18N2/c1-4-11(5-6-12)8-13-7-10(11)9(2)3/h5-9H,4,12H2,1-3H3/b6-5-
InChIKeyBNYDWGIWAKYZLQ-WAYWQWQTSA-N
MW178.28 g/mol
LogP2.48
Rot. Bonds3

About (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine

(Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine (PubChem CID 167207638) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine
PubChem CID167207638
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine
SMILESCCC1(/C=C\N)C=NC=C1C(C)C
InChIInChI=1S/C11H18N2/c1-4-11(5-6-12)8-13-7-10(11)9(2)3/h5-9H,4,12H2,1-3H3/b6-5-
InChIKeyBNYDWGIWAKYZLQ-WAYWQWQTSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine?
The IUPAC name of (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine (CID 167207638) is (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine.
What is the SMILES notation for (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine?
The canonical SMILES for (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine is CCC1(/C=C\N)C=NC=C1C(C)C.
What is the InChIKey of (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine?
The InChIKey is BNYDWGIWAKYZLQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-11(5-6-12)8-13-7-10(11)9(2)3/h5-9H,4,12H2,1-3H3/b6-5-.
What are the key properties of (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine?
(Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine has a molecular weight of 178.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine is sourced from PubChem (CID 167207638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).