(4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole

C7H10ClN — CID 13272515

IUPAC(4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole
SMILESCC1=NCC/C1=C(/C)Cl
InChIInChI=1S/C7H10ClN/c1-5(8)7-3-4-9-6(7)2/h3-4H2,1-2H3/b7-5+
InChIKeyWRPNFRBPBDSBJR-FNORWQNLSA-N
MW143.62 g/mol
LogP2.36
Rot. Bonds

About (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole

(4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole (PubChem CID 13272515) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole
PubChem CID13272515
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole
SMILESCC1=NCC/C1=C(/C)Cl
InChIInChI=1S/C7H10ClN/c1-5(8)7-3-4-9-6(7)2/h3-4H2,1-2H3/b7-5+
InChIKeyWRPNFRBPBDSBJR-FNORWQNLSA-N
XLogP2.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
5-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 15581274
(4Z)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole
CID 91982630
(2E)-2-(1-chloroethylidene)-N-ethylcyclopentan-1-imine
CID 68232305
4-Ethyl-5,6-dimethyl-2,3-dihydropyridine
CID 146981612
(Z)-4-chloro-N,3-dimethylpent-3-en-2-imine
CID 167187204
3,4-diethyl-5-methyl-2H-pyrrole
CID 174396277
4-(1-Chloroethylidene)-5-methyl-2,3-dihydropyrrole
CID 71419624

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole?
The IUPAC name of (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole (CID 13272515) is (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole.
What is the SMILES notation for (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole?
The canonical SMILES for (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole is CC1=NCC/C1=C(/C)Cl.
What is the InChIKey of (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole?
The InChIKey is WRPNFRBPBDSBJR-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(8)7-3-4-9-6(7)2/h3-4H2,1-2H3/b7-5+.
What are the key properties of (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole?
(4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole has a molecular weight of 143.62 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1-chloroethylidene)-5-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 13272515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).