(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine

C10H12N2 — CID 142219483

IUPAC(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine
SMILESC=C/C=C1/C(=C)N=C(N)/C1=C/C
InChIInChI=1S/C10H12N2/c1-4-6-9-7(3)12-10(11)8(9)5-2/h4-6H,1,3H2,2H3,(H2,11,12)/b8-5+,9-6-
InChIKeyKDQBJGVXXPQRPF-OWNHSFIXSA-N
MW160.22 g/mol
LogP1.93
Rot. Bonds1

About (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine

(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine (PubChem CID 142219483) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine
PubChem CID142219483
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine
SMILESC=C/C=C1/C(=C)N=C(N)/C1=C/C
InChIInChI=1S/C10H12N2/c1-4-6-9-7(3)12-10(11)8(9)5-2/h4-6H,1,3H2,2H3,(H2,11,12)/b8-5+,9-6-
InChIKeyKDQBJGVXXPQRPF-OWNHSFIXSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
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CID 164867167
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
N'-methylcyclopenta-1,3-diene-1-carboximidamide
CID 58746429
3,4-Dihydroindol-4-id-2-amine;tungsten
CID 58896515
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
N-[(2E,4Z)-1-amino-2-methylhepta-2,4,6-trienylidene]cyclopenta-1,2,4-triene-1-carboximidamide
CID 118641902
5-(4-Ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
CID 123864881
N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 126593325
(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine
CID 126599083
(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine
CID 129058386

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine?
The IUPAC name of (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine (CID 142219483) is (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine.
What is the SMILES notation for (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine?
The canonical SMILES for (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine is C=C/C=C1/C(=C)N=C(N)/C1=C/C.
What is the InChIKey of (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine?
The InChIKey is KDQBJGVXXPQRPF-OWNHSFIXSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-6-9-7(3)12-10(11)8(9)5-2/h4-6H,1,3H2,2H3,(H2,11,12)/b8-5+,9-6-.
What are the key properties of (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine?
(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine has a molecular weight of 160.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine is sourced from PubChem (CID 142219483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).