(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde

C15H23NO — CID 143502779

IUPAC(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde
SMILESC=C/C=c1\c(=C)c(CC)cn1CCCC.C=O
InChIInChI=1S/C14H21N.CH2O/c1-5-8-10-15-11-13(7-3)12(4)14(15)9-6-2;1-2/h6,9,11H,2,4-5,7-8,10H2,1,3H3;1H2/b14-9+;
InChIKeyIVWAXCMSNIPQJH-KYIGKLDSSA-N
MW233.35 g/mol
LogP2.04
Rot. Bonds5

About (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde

(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde (PubChem CID 143502779) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde.

Molecular Properties

Compound Name(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde
PubChem CID143502779
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde
SMILESC=C/C=c1\c(=C)c(CC)cn1CCCC.C=O
InChIInChI=1S/C14H21N.CH2O/c1-5-8-10-15-11-13(7-3)12(4)14(15)9-6-2;1-2/h6,9,11H,2,4-5,7-8,10H2,1,3H3;1H2/b14-9+;
InChIKeyIVWAXCMSNIPQJH-KYIGKLDSSA-N
XLogP2.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde?
The IUPAC name of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde (CID 143502779) is (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde.
What is the SMILES notation for (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde?
The canonical SMILES for (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde is C=C/C=c1\c(=C)c(CC)cn1CCCC.C=O.
What is the InChIKey of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde?
The InChIKey is IVWAXCMSNIPQJH-KYIGKLDSSA-N. The full InChI is InChI=1S/C14H21N.CH2O/c1-5-8-10-15-11-13(7-3)12(4)14(15)9-6-2;1-2/h6,9,11H,2,4-5,7-8,10H2,1,3H3;1H2/b14-9+;.
What are the key properties of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde?
(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde has a molecular weight of 233.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde is sourced from PubChem (CID 143502779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).