(3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine

C18H17Cl2N — CID 177393308

IUPAC(3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine
SMILESClc1ccc(/C=C2\CCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H17Cl2N/c19-17-5-1-14(2-6-17)11-16-9-10-21(13-16)12-15-3-7-18(20)8-4-15/h1-8,11H,9-10,12-13H2/b16-11+
InChIKeySAASTZLQMOMAQN-LFIBNONCSA-N
MW318.25 g/mol
LogP5.28
Rot. Bonds3

About (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine

(3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine (PubChem CID 177393308) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine.

Molecular Properties

Compound Name(3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine
PubChem CID177393308
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name(3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine
SMILESClc1ccc(/C=C2\CCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H17Cl2N/c19-17-5-1-14(2-6-17)11-16-9-10-21(13-16)12-15-3-7-18(20)8-4-15/h1-8,11H,9-10,12-13H2/b16-11+
InChIKeySAASTZLQMOMAQN-LFIBNONCSA-N
XLogP5.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.25
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine
CID 54010458
(3E,5E)-1-benzyl-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
CID 6265878
(3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine
CID 169239703
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
4-[[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]methyl]benzoic acid
CID 122029421
3-[(4-chlorophenyl)methylidene]azetidine
CID 79879268
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol
CID 141302993
1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 130186827
4-[[1-[(4-chlorophenyl)methyl]piperidin-4-ylidene]methyl]-N-ethoxycyclohexa-2,4-dien-1-imine
CID 174413121
4-[[4,7,10-tris[(4-formylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]benzaldehyde
CID 154202644
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288

Frequently Asked Questions

What is the IUPAC name of (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine?
The IUPAC name of (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine (CID 177393308) is (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine.
What is the SMILES notation for (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine?
The canonical SMILES for (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine is Clc1ccc(/C=C2\CCN(Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine?
The InChIKey is SAASTZLQMOMAQN-LFIBNONCSA-N. The full InChI is InChI=1S/C18H17Cl2N/c19-17-5-1-14(2-6-17)11-16-9-10-21(13-16)12-15-3-7-18(20)8-4-15/h1-8,11H,9-10,12-13H2/b16-11+.
What are the key properties of (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine?
(3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine has a molecular weight of 318.25 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-[(4-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylidene]pyrrolidine is sourced from PubChem (CID 177393308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).