(3-bromophenyl)-pyrrolidin-1-ylmethanimine

C11H13BrN2 — CID 62047755

IUPAC(3-bromophenyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/c1cccc(Br)c1)N1CCCC1
InChIInChI=1S/C11H13BrN2/c12-10-5-3-4-9(8-10)11(13)14-6-1-2-7-14/h3-5,8,13H,1-2,6-7H2/b13-11-
InChIKeyPVRAPNJZLUGRCL-QBFSEMIESA-N
MW253.14 g/mol
LogP2.87
Rot. Bonds1

About (3-bromophenyl)-pyrrolidin-1-ylmethanimine

(3-bromophenyl)-pyrrolidin-1-ylmethanimine (PubChem CID 62047755) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is (3-bromophenyl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(3-bromophenyl)-pyrrolidin-1-ylmethanimine
PubChem CID62047755
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name(3-bromophenyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/c1cccc(Br)c1)N1CCCC1
InChIInChI=1S/C11H13BrN2/c12-10-5-3-4-9(8-10)11(13)14-6-1-2-7-14/h3-5,8,13H,1-2,6-7H2/b13-11-
InChIKeyPVRAPNJZLUGRCL-QBFSEMIESA-N
XLogP2.87
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanimine
CID 63179175
(3-bromophenyl)-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544504
(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine
CID 107282840
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947
2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 135965167
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 7767931
2-nitro-4-(piperidine-1-carboximidoyl)phenol
CID 135965160
2-nitro-4-(pyrrolidine-1-carboximidoyl)aniline
CID 70556660
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine
CID 130835239
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (3-bromophenyl)-pyrrolidin-1-ylmethanimine (CID 62047755) is (3-bromophenyl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (3-bromophenyl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (3-bromophenyl)-pyrrolidin-1-ylmethanimine is [H]/N=C(/c1cccc(Br)c1)N1CCCC1.
What is the InChIKey of (3-bromophenyl)-pyrrolidin-1-ylmethanimine?
The InChIKey is PVRAPNJZLUGRCL-QBFSEMIESA-N. The full InChI is InChI=1S/C11H13BrN2/c12-10-5-3-4-9(8-10)11(13)14-6-1-2-7-14/h3-5,8,13H,1-2,6-7H2/b13-11-.
What are the key properties of (3-bromophenyl)-pyrrolidin-1-ylmethanimine?
(3-bromophenyl)-pyrrolidin-1-ylmethanimine has a molecular weight of 253.14 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 62047755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).