(3Z)-3-but-3-enylidenepyrrol-2-amine

C8H10N2 — CID 143713204

IUPAC(3Z)-3-but-3-enylidenepyrrol-2-amine
SMILESC=CC/C=C1/C=CN=C1N
InChIInChI=1S/C8H10N2/c1-2-3-4-7-5-6-10-8(7)9/h2,4-6H,1,3H2,(H2,9,10)/b7-4-
InChIKeyLXDXTJYLAZCMNW-DAXSKMNVSA-N
MW134.18 g/mol
LogP1.37
Rot. Bonds2

About (3Z)-3-but-3-enylidenepyrrol-2-amine

(3Z)-3-but-3-enylidenepyrrol-2-amine (PubChem CID 143713204) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (3Z)-3-but-3-enylidenepyrrol-2-amine.

Molecular Properties

Compound Name(3Z)-3-but-3-enylidenepyrrol-2-amine
PubChem CID143713204
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(3Z)-3-but-3-enylidenepyrrol-2-amine
SMILESC=CC/C=C1/C=CN=C1N
InChIInChI=1S/C8H10N2/c1-2-3-4-7-5-6-10-8(7)9/h2,4-6H,1,3H2,(H2,9,10)/b7-4-
InChIKeyLXDXTJYLAZCMNW-DAXSKMNVSA-N
XLogP1.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
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N'-ethenyl-3-fluorocyclohexa-1,3-diene-1-carboximidamide
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(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
CID 170194613
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
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3-Prop-2-enylazocin-2-amine
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(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
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(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
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CID 90254144

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-but-3-enylidenepyrrol-2-amine?
The IUPAC name of (3Z)-3-but-3-enylidenepyrrol-2-amine (CID 143713204) is (3Z)-3-but-3-enylidenepyrrol-2-amine.
What is the SMILES notation for (3Z)-3-but-3-enylidenepyrrol-2-amine?
The canonical SMILES for (3Z)-3-but-3-enylidenepyrrol-2-amine is C=CC/C=C1/C=CN=C1N.
What is the InChIKey of (3Z)-3-but-3-enylidenepyrrol-2-amine?
The InChIKey is LXDXTJYLAZCMNW-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-7-5-6-10-8(7)9/h2,4-6H,1,3H2,(H2,9,10)/b7-4-.
What are the key properties of (3Z)-3-but-3-enylidenepyrrol-2-amine?
(3Z)-3-but-3-enylidenepyrrol-2-amine has a molecular weight of 134.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-but-3-enylidenepyrrol-2-amine is sourced from PubChem (CID 143713204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).