N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine

C10H13ClN2 — CID 123534778

IUPACN-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine
SMILESCC=Nc1[nH]ccc1C(Cl)=CCC
InChIInChI=1S/C10H13ClN2/c1-3-5-9(11)8-6-7-13-10(8)12-4-2/h4-7,13H,3H2,1-2H3
InChIKeyZDHQLMLQWUUQHB-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.73
Rot. Bonds3

About N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine

N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine (PubChem CID 123534778) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine.

Molecular Properties

Compound NameN-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine
PubChem CID123534778
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC NameN-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine
SMILESCC=Nc1[nH]ccc1C(Cl)=CCC
InChIInChI=1S/C10H13ClN2/c1-3-5-9(11)8-6-7-13-10(8)12-4-2/h4-7,13H,3H2,1-2H3
InChIKeyZDHQLMLQWUUQHB-UHFFFAOYSA-N
XLogP3.73
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[(E)-prop-1-enyl]amino]-1H-pyrrole-3-carboximidoyl chloride
CID 137532824
N-[3-(1-fluoroethenyl)-1H-pyrrol-2-yl]methanimine
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3-(trifluoromethyl)-1H-pyrrol-2-amine
CID 172230080
N-[3-(1-fluoro-3-methyliminoprop-1-enyl)-1H-pyrrol-2-yl]hydroxylamine
CID 173931454
1,2,3,8-Tetrahydropyrrolo[2,3-c]diazepine
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3,8-Dihydropyrrolo[2,3-c]diazepine
CID 137297957
6H-Pyrrolo[2,3-B]pyridine
CID 431920
4-methyl-1H-pyrrol-2-amine
CID 15273523
N-ethyl-3-methyl-1H-pyrrol-2-amine
CID 22408306
4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine
CID 53656902
4-Chloro-3-iodo-4,7-dihydropyrrolo[2,3-d]pyrimidine
CID 57076313
4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine
CID 57090566

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine?
The IUPAC name of N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine (CID 123534778) is N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine.
What is the SMILES notation for N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine?
The canonical SMILES for N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine is CC=Nc1[nH]ccc1C(Cl)=CCC.
What is the InChIKey of N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine?
The InChIKey is ZDHQLMLQWUUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-3-5-9(11)8-6-7-13-10(8)12-4-2/h4-7,13H,3H2,1-2H3.
What are the key properties of N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine?
N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine has a molecular weight of 196.68 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine is sourced from PubChem (CID 123534778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).