(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine

C10H13FN2 — CID 142944784

IUPAC(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine
SMILESC=c1c(C)cn(N)/c1=C/C=C(\C)F
InChIInChI=1S/C10H13FN2/c1-7-6-13(12)10(9(7)3)5-4-8(2)11/h4-6H,3,12H2,1-2H3/b8-4+,10-5+
InChIKeyPWJBDBIQTLJYNB-DXNUHORPSA-N
MW180.23 g/mol
LogP0.57
Rot. Bonds1

About (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine

(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine (PubChem CID 142944784) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine.

Molecular Properties

Compound Name(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine
PubChem CID142944784
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine
SMILESC=c1c(C)cn(N)/c1=C/C=C(\C)F
InChIInChI=1S/C10H13FN2/c1-7-6-13(12)10(9(7)3)5-4-8(2)11/h4-6H,3,12H2,1-2H3/b8-4+,10-5+
InChIKeyPWJBDBIQTLJYNB-DXNUHORPSA-N
XLogP0.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-1-(5-fluorocyclohexa-1,5-dien-1-yl)hydrazine
CID 164145657
4,4-difluoro-2H-indol-1-amine
CID 158200057
3-(Difluoromethyl)-5-methyl-2-methylidenepyridin-1-amine
CID 159515003
3-Fluoro-5-methyl-2-methylidenepyridin-1-amine
CID 159920057
5-Methyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 160530659
7-Fluoro-2-methyl-1,7a-dihydroindazol-4-amine
CID 166076599
(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
CID 89379521
2-Ethylidene-3-propylidenepyrrol-1-amine
CID 123716269
(3E,5Z)-N-[(Z)-2-[amino(methyl)amino]prop-1-enyl]-5-ethylhepta-1,3,5-trien-4-amine
CID 134301576
5,6-Dihydroindol-1-amine
CID 139471403
1-[2-[(3E,6E,8Z)-4,6-dimethyldeca-1,3,6,8-tetraen-3-yl]cyclopenta-2,4-dien-1-yl]-1-[(Z)-prop-1-enyl]hydrazine
CID 166865898
N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine
CID 167021237

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine?
The IUPAC name of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine (CID 142944784) is (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine.
What is the SMILES notation for (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine?
The canonical SMILES for (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine is C=c1c(C)cn(N)/c1=C/C=C(\C)F.
What is the InChIKey of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine?
The InChIKey is PWJBDBIQTLJYNB-DXNUHORPSA-N. The full InChI is InChI=1S/C10H13FN2/c1-7-6-13(12)10(9(7)3)5-4-8(2)11/h4-6H,3,12H2,1-2H3/b8-4+,10-5+.
What are the key properties of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine?
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine has a molecular weight of 180.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyrrol-1-amine is sourced from PubChem (CID 142944784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).