(4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole

C12H15N — CID 118198740

IUPAC(4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole
SMILESC=C/C=C1/C(=C)N=C(C)C1=C(C)C
InChIInChI=1S/C12H15N/c1-6-7-11-9(4)13-10(5)12(11)8(2)3/h6-7H,1,4H2,2-3,5H3/b11-7-
InChIKeySHVHKRJHQBQUKB-XFFZJAGNSA-N
MW173.26 g/mol
LogP3.42
Rot. Bonds1

About (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole

(4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole (PubChem CID 118198740) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole.

Molecular Properties

Compound Name(4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole
PubChem CID118198740
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole
SMILESC=C/C=C1/C(=C)N=C(C)C1=C(C)C
InChIInChI=1S/C12H15N/c1-6-7-11-9(4)13-10(5)12(11)8(2)3/h6-7H,1,4H2,2-3,5H3/b11-7-
InChIKeySHVHKRJHQBQUKB-XFFZJAGNSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole?
The IUPAC name of (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole (CID 118198740) is (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole.
What is the SMILES notation for (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole?
The canonical SMILES for (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole is C=C/C=C1/C(=C)N=C(C)C1=C(C)C.
What is the InChIKey of (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole?
The InChIKey is SHVHKRJHQBQUKB-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H15N/c1-6-7-11-9(4)13-10(5)12(11)8(2)3/h6-7H,1,4H2,2-3,5H3/b11-7-.
What are the key properties of (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole?
(4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole has a molecular weight of 173.26 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-5-methylidene-3-propan-2-ylidene-4-prop-2-enylidenepyrrole is sourced from PubChem (CID 118198740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).