(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine

C14H18N2 — CID 89379521

IUPAC(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
SMILESC=C/C=c1/c(C(=C)C=C(C)C)cn(N)c1=C
InChIInChI=1S/C14H18N2/c1-6-7-13-12(5)16(15)9-14(13)11(4)8-10(2)3/h6-9H,1,4-5,15H2,2-3H3/b13-7+
InChIKeyJRWZSDZRMFMDGO-NTUHNPAUSA-N
MW214.31 g/mol
LogP1.56
Rot. Bonds3

About (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine

(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine (PubChem CID 89379521) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine.

Molecular Properties

Compound Name(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
PubChem CID89379521
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
SMILESC=C/C=c1/c(C(=C)C=C(C)C)cn(N)c1=C
InChIInChI=1S/C14H18N2/c1-6-7-13-12(5)16(15)9-14(13)11(4)8-10(2)3/h6-9H,1,4-5,15H2,2-3H3/b13-7+
InChIKeyJRWZSDZRMFMDGO-NTUHNPAUSA-N
XLogP1.56
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine?
The IUPAC name of (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine (CID 89379521) is (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine.
What is the SMILES notation for (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine?
The canonical SMILES for (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine is C=C/C=c1/c(C(=C)C=C(C)C)cn(N)c1=C.
What is the InChIKey of (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine?
The InChIKey is JRWZSDZRMFMDGO-NTUHNPAUSA-N. The full InChI is InChI=1S/C14H18N2/c1-6-7-13-12(5)16(15)9-14(13)11(4)8-10(2)3/h6-9H,1,4-5,15H2,2-3H3/b13-7+.
What are the key properties of (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine?
(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine has a molecular weight of 214.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine is sourced from PubChem (CID 89379521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).